N-cyclohexylpiperidine-2-carboxamide hydrochloride

• ChemBase ID: 49756
• Molecular Formular: C12H23ClN2O
• Molecular Mass: 246.77682
• Monoisotopic Mass: 246.14989105
• SMILES: C(=O)(NC1CCCCC1)C1NCCCC1.Cl
• Canonical SMILES: O=C(C1CCCCN1)NC1CCCCC1.Cl
• InChI: InChI=1S/C12H22N2O.ClH/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10;/h10-11,13H,1-9H2,(H,14,15);1H
• InChIKey: OISHDAZCNMHZSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylpiperidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclohexylpiperidine-2-carboxamide hydrochloride
• Synonyms: N-Cyclohexyl-2-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562655
• PubChem SID: 162054519
• PubChem CID: 53410850

CALCULATED PROPERTIES

• Acid pKa: 15.844532
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4394622
• LogD (pH = 7.4): 0.08081301
• Log P: 1.5634313
• Molar Refractivity: 60.3984 cm^3
• Polarizability: 24.10781 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false