3-(2-cyclohexylethyl)piperidine

• ChemBase ID: 50204
• Molecular Formular: C13H25N
• Molecular Mass: 195.3443
• Monoisotopic Mass: 195.19869981
• SMILES: N1CC(CCC2CCCCC2)CCC1
• Canonical SMILES: C1CCC(CC1)CCC1CCCNC1
• InChI: InChI=1S/C13H25N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h12-14H,1-11H2
• InChIKey: VLMGCCBHYXOQCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-cyclohexylethyl)piperidine
• IUPAC Traditional name: 3-(2-cyclohexylethyl)piperidine
• Synonyms: 3-(2-Cyclohexylethyl)piperidine

Database IDs

• MDL Number: MFCD13562910
• PubChem SID: 162054967
• PubChem CID: 53409213

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.27878237
• LogD (pH = 7.4): 0.65284896
• Log P: 3.5131657
• Molar Refractivity: 61.6594 cm^3
• Polarizability: 24.784561 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false