1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylic Acid
Basic information
- CAS
96009-30-2- Standard SMILES
COc1ccc(CN2CCCC(C(=O)O)C2)cc1- InChIKey
FWJFSBIRBWEAJH-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylic Acid
- IUPAC
- 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
- English name
- 1-(4-methoxybenzyl)piperidine-3-carboxylic acid
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.31
Names & synonyms
96009-30-21-[(4-methoxyphenyl)methyl]piperidine-3-carboxylic Acid1-(4-methoxybenzyl)piperidine-3-carboxylic acidSCHEMBL27549340DTXSID20394998N-(p-methoxybenzyl) nipecotic acidAKOS0036579813-Piperidinecarboxylic acid, 1-[(4-methoxyphenyl)methyl]-
Database identifiers
- CAS
96009-30-2- PubChem CID
- 3683271
- DTXSID
DTXSID20394998
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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