4-cyclohexylpiperidine hydrochloride

• ChemBase ID: 76426
• Molecular Formular: C11H22ClN
• Molecular Mass: 203.75208
• Monoisotopic Mass: 203.14407739
• SMILES: N1CCC(C2CCCCC2)CC1.Cl
• Canonical SMILES: C1CCC(CC1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H21N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h10-12H,1-9H2;1H
• InChIKey: VERIFEZQOCIVJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylpiperidine hydrochloride
• IUPAC Traditional name: 4-cyclohexylpiperidine hydrochloride
• Synonyms: (Piperidin-4-yl)cyclohexane hydrochloride; 4-Cyclohexylpiperidine hydrochloride

Database IDs

• CAS Number: 60601-62-9
• MDL Number: MFCD05863876
• PubChem SID: 162041331
• PubChem CID: 17749781

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.68549395
• LogD (pH = 7.4): -0.22864516
• Log P: 2.5460746
• Molar Refractivity: 52.5344 cm^3
• Polarizability: 21.091114 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant