1-cyclohexylpiperidine-4-carboxylic acid

• ChemBase ID: 308407
• Molecular Formular: C12H21NO2
• Molecular Mass: 211.30064
• Monoisotopic Mass: 211.15722892
• SMILES: N1(CCC(C(=O)O)CC1)C1CCCCC1
• Canonical SMILES: OC(=O)C1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C12H21NO2/c14-12(15)10-6-8-13(9-7-10)11-4-2-1-3-5-11/h10-11H,1-9H2,(H,14,15)
• InChIKey: QTJYMJZSIMYYLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpiperidine-4-carboxylic acid
• IUPAC Traditional name: 1-cyclohexylpiperidine-4-carboxylic acid
• Synonyms: 1-cyclohexyl-4-piperidinecarboxylic acid

Database IDs

• CAS Number: 897094-33-6
• MDL Number: MFCD03371496

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6919538
• LogD (pH = 7.4): -0.66863114
• Log P: -0.6689447
• Molar Refractivity: 59.3842 cm^3
• Polarizability: 23.412664 Å^3
• Polar Surface Area: 40.54 Å^2