1-(2-Methylbenzoyl)piperidine-4-carboxylic acid
Basic information
- CAS
401581-31-5- Standard SMILES
Cc1ccccc1C(=O)N1CCC(C(=O)O)CC1- InChIKey
ZDLGPPDQCGOJTL-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- 1-(2-Methylbenzoyl)piperidine-4-carboxylic acid
- IUPAC
- 1-(2-methylbenzoyl)piperidine-4-carboxylic acid
- English name
- 1-(2-Methyl-benzoyl)-piperidine-4-carboxylic acid
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
1-(2-methylbenzoyl)piperidine-4-carboxylic acid401581-31-51-(2-Methyl-benzoyl)-piperidine-4-carboxylic acidMFCD030153811-(2-methylbenzoyl)-4-piperidinecarboxylic acid4-piperidinecarboxylic acid, 1-(2-methylbenzoyl)-1-[(2-methylphenyl)carbonyl]piperidine-4-carboxylic acidMLS000123064CHEMBL1383343SCHEMBL11893518DTXSID80353824HMS2438J13
Show more names
AKOS BBR-003449OTAVA-BB 1046051CHEMBRDG-BB 73586371-(2-methylbenzoyl)isonipecotic acid1-(2-methylphenyl)carbonylpiperidine-4-carboxylic acid1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid1-(2-methylbenzoyl)piperidine-4-carboxylic acid(SALTDATA: FREE)
ALBB-027351SBB028014STL382223AKOS000116841SB44047LS-09381SMR000123655CS-0208318
Database identifiers
- CAS
401581-31-5- PubChem CID
- 754891
- DTXSID
DTXSID80353824- ChEMBL
CHEMBL1383343- EC Number
- 188-093-5
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 321
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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