Basic information
- CAS
26965-32-2- Standard SMILES
O=C(O)C1CCN(C(=O)Cc2ccccc2)CC1- InChIKey
OTVPLNPLEZXHGE-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Overview
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid is a member of acetamides.
Names & identifiers
- Preferred name
- 1-(2-Phenylacetyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(2-phenylacetyl)piperidine-4-carboxylic acid
- English name
- 1-PHENYLACETYL-PIPERIDINE-4-CARBOXYLIC ACID
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
1-(2-phenylacetyl)piperidine-4-carboxylic acidRefChem:422608110-545-726965-32-21-(phenylacetyl)piperidine-4-carboxylic acid1-Phenylacetyl-piperidine-4-carboxylic acidMFCD03719800NSC132876Cambridge id 73581064-Piperidinecarboxylicacid, 1-(2-phenylacetyl)-MLS000715322SCHEMBL7309037
Show more names
OTAVA-BB 1046064CHEMBRDG-BB 73581064-Piperidinecarboxylic acid, 1-(2-phenylacetyl)-1-(phenylacetyl)piperidine-4-carboxylic acid(SALTDATA: FREE)
CHEMBL1412435DTXSID40299794CHEBI:107816HMS2733C16ALBB-030992AKOS000154021NSC-132876LS-11138
Database identifiers
- CAS
26965-32-2- PubChem CID
- 280747
- DTXSID
DTXSID40299794- ChEMBL
CHEMBL1412435
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Solubility>37.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid is a member of acetamides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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