1-[(4-methylphenyl)methyl]piperidine-4-carboxylic Acid
Basic information
- CAS
897094-27-8- Standard SMILES
Cc1ccc(CN2CCC(C(=O)O)CC2)cc1- InChIKey
HYRQDCFLAKBULE-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- 1-[(4-methylphenyl)methyl]piperidine-4-carboxylic Acid
- IUPAC
- 1-[(4-methylphenyl)methyl]piperidine-4-carboxylic acid
- English name
- 1-(4-methylbenzyl)piperidine-4-carboxylic acid
- Molecular formula
- C14H19NO2
- Molecular weight
- 233.31
Names & synonyms
897094-27-81-(4-methylbenzyl)piperidine-4-carboxylic acid1-[(4-methylphenyl)methyl]piperidine-4-carboxylic AcidSCHEMBL13236630DTXSID00391228STK354951AKOS003658054F1908-1825OTAVA-BB 11475844-Piperidinecarboxylic acid, 1-[(4-methylphenyl)methyl]-
Database identifiers
- CAS
897094-27-8- PubChem CID
- 3301599
- DTXSID
DTXSID00391228
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 374.4 · 374.4±37.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.20(Predicted)
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Compound notes
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