3-cyclohexylpiperidine hydrochloride

• ChemBase ID: 76425
• Molecular Formular: C11H22ClN
• Molecular Mass: 203.75208
• Monoisotopic Mass: 203.14407739
• SMILES: N1CC(C2CCCCC2)CCC1.Cl
• Canonical SMILES: C1CCC(CC1)C1CCCNC1.Cl
• InChI: InChI=1S/C11H21N.ClH/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h10-12H,1-9H2;1H
• InChIKey: WQMBVPSDDMFOEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexylpiperidine hydrochloride
• IUPAC Traditional name: 3-cyclohexylpiperidine hydrochloride
• Synonyms: 3-cyclohexyl piperidine hydrochloride

Database IDs

• MDL Number: MFCD04113627
• PubChem SID: 162041330
• PubChem CID: 17749763

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.610342
• LogD (pH = 7.4): -0.23585534
• Log P: 2.6240284
• Molar Refractivity: 52.4574 cm^3
• Polarizability: 21.091114 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true