1-(piperidin-1-yl)cyclohexane-1-carboxylic acid

• ChemBase ID: 310526
• Molecular Formular: C12H21NO2
• Molecular Mass: 211.30064
• Monoisotopic Mass: 211.15722892
• SMILES: C1(N2CCCCC2)(C(=O)O)CCCCC1
• Canonical SMILES: OC(=O)C1(CCCCC1)N1CCCCC1
• InChI: InChI=1S/C12H21NO2/c14-11(15)12(7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2,(H,14,15)
• InChIKey: OOEYLDSNYUXWGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-yl)cyclohexane-1-carboxylic acid
• IUPAC Traditional name: 1-(piperidin-1-yl)cyclohexane-1-carboxylic acid
• Synonyms: 1-piperidin-1-ylcyclohexanecarboxylic acid

Database IDs

• MDL Number: MFCD05230543

CALCULATED PROPERTIES

• Polarizability: 23.412664 Å^3
• Polar Surface Area: 40.54 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.18497293
• LogD (pH = 7.4): -0.18492398
• Log P: -0.18489352
• Molar Refractivity: 59.2687 cm^3