1-benzoylpiperidine
1-benzoylpiperidine structure
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Common Name | 1-benzoylpiperidine | ||
|---|---|---|---|---|
| CAS Number | 776-75-0 | Molecular Weight | 189.25400 | |
| Density | 1.084 g/cm3 | Boiling Point | 180-184°C 20mm | |
| Molecular Formula | C12H15NO | Melting Point | 48-50°C | |
| MSDS | N/A | Flash Point | 180-184°C/20mm | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | phenyl(piperidin-1-yl)methanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.084 g/cm3 |
|---|---|
| Boiling Point | 180-184°C 20mm |
| Melting Point | 48-50°C |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.25400 |
| Flash Point | 180-184°C/20mm |
| Exact Mass | 189.11500 |
| PSA | 20.31000 |
| LogP | 2.25060 |
| Index of Refraction | 1.621 |
| InChIKey | YXTROGRGRSPWKL-UHFFFAOYSA-N |
| SMILES | O=C(c1ccccc1)N1CCCCC1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | S22-S24/25 |
|---|---|
| RTECS | TM4600000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:110-89-4
CAS#:591-50-4
CAS#:201230-82-2
CAS#:10364-94-0
CAS#:98-88-4
CAS#:100-51-6
CAS#:2591-86-8
CAS#:98-86-2
CAS#:15563-40-3
CAS#:93-89-0
CAS#:462-94-2![phenyl-[2-(2-phenylethynyl)phenyl]methanone structure](https://image.chemsrc.com/caspic/418/221458-86-2.png)
CAS#:221458-86-2
CAS#:6091-44-7
CAS#:111-16-0
CAS#:2905-56-8
CAS#:120942-83-8
CAS#:110023-85-3
CAS#:660-88-8
CAS#:628-76-2
CAS#:100-47-0This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-benzoylpiperidine |
| MFCD00023702 |
| phenyl (piperidin-1-yl) methanone |
| Benzoylpiperidine |
| Piperidine,1-benzoyl |
| EINECS 212-280-3 |
| Benzoic acid N-piperidide |
| PhCON(CH2)5 |
| Protectine I |
| 1-Benzoylpiperidine |
| Benzoic acid,piperidide |
| N-Benzoylpiperidin |
| N-benzoylpiperidine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of phenyl(piperidin-1-yl)methanone? |
| A: Related upstream materials(CAS) of phenyl(piperidin-1-yl)methanone: 110-89-4;591-50-4;201230-82-2;10364-94-0;98-88-4;100-51-6;2591-86-8;98-86-2;15563-40-3;93-89-0. |
| Q: What is the English name of phenyl(piperidin-1-yl)methanone? |
| A: The English name of phenyl(piperidin-1-yl)methanone is phenyl(piperidin-1-yl)methanone. |
| Q: What is the InChIKey of phenyl(piperidin-1-yl)methanone? |
| A: InChIKey of phenyl(piperidin-1-yl)methanone is YXTROGRGRSPWKL-UHFFFAOYSA-N. |
| Q: What is the LogP of phenyl(piperidin-1-yl)methanone? |
| A: LogP of phenyl(piperidin-1-yl)methanone is 2.25060. |
| Q: What is the molecular weight of phenyl(piperidin-1-yl)methanone? |
| A: Molecular weight of phenyl(piperidin-1-yl)methanone is 189.25400. |
| Q: What is the CAS number of phenyl(piperidin-1-yl)methanone? |
| A: CAS number of phenyl(piperidin-1-yl)methanone is 776-75-0. |
| Q: What is the boiling point of phenyl(piperidin-1-yl)methanone? |
| A: Boiling point of phenyl(piperidin-1-yl)methanone is 180-184°C 20mm. |
| Q: What are the downstream products of phenyl(piperidin-1-yl)methanone? |
| A: Related downstream products(CAS) of phenyl(piperidin-1-yl)methanone: 462-94-2;221458-86-2;6091-44-7;111-16-0;2905-56-8;120942-83-8;110023-85-3;660-88-8;628-76-2;100-47-0. |
| Q: What is the SMILES notation of phenyl(piperidin-1-yl)methanone? |
| A: SMILES notation of phenyl(piperidin-1-yl)methanone is O=C(c1ccccc1)N1CCCCC1. |
| Q: What is the molecular formula of phenyl(piperidin-1-yl)methanone? |
| A: Molecular formula of phenyl(piperidin-1-yl)methanone is C12H15NO. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |