4-cyclohexylpiperidine

• ChemBase ID: 34528
• Molecular Formular: C11H21N
• Molecular Mass: 167.29114
• Monoisotopic Mass: 167.16739968
• SMILES: C1CCC(C2CCNCC2)CC1
• Canonical SMILES: C1CCC(CC1)C1CCNCC1
• InChI: InChI=1S/C11H21N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10-12H,1-9H2
• InChIKey: HQSCLNJCVFZWCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylpiperidine
• IUPAC Traditional name: 4-cyclohexylpiperidine
• Synonyms: 4-Cyclohexylpiperidine

Database IDs

• CAS Number: 14446-73-2
• MDL Number: MFCD07365356
• PubChem SID: 160997835
• PubChem CID: 424240

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

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): 3.485

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%