4-(2-cyclohexylethyl)piperidine

• ChemBase ID: 279391
• Molecular Formular: C13H25N
• Molecular Mass: 195.3443
• Monoisotopic Mass: 195.19869981
• SMILES: N1CCC(CCC2CCCCC2)CC1
• Canonical SMILES: C1CCC(CC1)CCC1CCNCC1
• InChI: InChI=1S/C13H25N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h12-14H,1-11H2
• InChIKey: OKKFUFHNPJPJCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-cyclohexylethyl)piperidine
• IUPAC Traditional name: 4-(2-cyclohexylethyl)piperidine
• Synonyms: 4-(2-cyclohexylethyl)piperidine

Database IDs

• MDL Number: MFCD16706700
• PubChem SID: 164335301
• PubChem CID: 11074320

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.20362343
• LogD (pH = 7.4): 0.6599395
• Log P: 3.435212
• Molar Refractivity: 61.7364 cm^3
• Polarizability: 24.784561 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.633

Product Information

• Purity: 95%