1-cyclohexylpiperidine-3-carboxylic acid

• ChemBase ID: 308406
• Molecular Formular: C12H21NO2
• Molecular Mass: 211.30064
• Monoisotopic Mass: 211.15722892
• SMILES: N1(CC(C(=O)O)CCC1)C1CCCCC1
• Canonical SMILES: OC(=O)C1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C12H21NO2/c14-12(15)10-5-4-8-13(9-10)11-6-2-1-3-7-11/h10-11H,1-9H2,(H,14,15)
• InChIKey: ITQDRROTHQYNPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpiperidine-3-carboxylic acid
• IUPAC Traditional name: 1-cyclohexylpiperidine-3-carboxylic acid
• Synonyms: 1-cyclohexyl-3-piperidinecarboxylic acid

Database IDs

• CAS Number: 897094-37-0
• MDL Number: MFCD09662193

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.52155095
• LogD (pH = 7.4): -0.5125322
• Log P: -0.5126178
• Molar Refractivity: 59.2302 cm^3
• Polarizability: 23.412664 Å^3
• Polar Surface Area: 40.54 Å^2