1-(3-Chlorobenzoyl)piperidine-4-carboxylic acid
Basic information
- CAS
401581-33-7- Standard SMILES
O=C(O)C1CCN(C(=O)c2cccc(Cl)c2)CC1- InChIKey
VVWYNFSSQNAKLL-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO3
- Average molar mass
- 267.71 g/mol
- Monoisotopic mass
- 267.066221
Names & identifiers
- Preferred name
- 1-(3-Chlorobenzoyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(3-chlorobenzoyl)piperidine-4-carboxylic acid
- English name
- 1-(3-chlorobenzoyl)piperidine-4-carboxylic acid
- Molecular formula
- C13H14ClNO3
- Molecular weight
- 267.71
Names & synonyms
1-(3-chlorobenzoyl)piperidine-4-carboxylic acid401581-33-7C13H14ClNO3MFCD030153831-[(3-chlorophenyl)carbonyl]piperidine-4-carboxylic acid4-piperidinecarboxylic acid, 1-(3-chlorobenzoyl)-2614AECambridge id 7357137DTXSID70358348ALBB-009480BBL004033STK502155
Show more names
1-(3-chlorobenzoyl)isonipecotic acid1-(3-chlorophenyl)carbonylpiperidine-4-carboxylic acid1-[(3-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid1-(3-chlorobenzoyl)piperidine-4-carboxylic acid(SALTDATA: FREE)
AKOS000133731VS-01480ST50948202H251701-(3-chlorobenzoyl)-4-piperidinecarboxylic acidSR-01000259713SR-01000259713-1
Database identifiers
- CAS
401581-33-7- PubChem CID
- 888587
- DTXSID
DTXSID70358348
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- 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.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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