4-[2-(4-methylphenyl)ethyl]piperidine

• ChemBase ID: 252431
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: N1CCC(CCc2ccc(cc2)C)CC1
• Canonical SMILES: Cc1ccc(cc1)CCC1CCNCC1
• InChI: InChI=1S/C14H21N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2-5,14-15H,6-11H2,1H3
• InChIKey: UAMOWMWECFNJHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-methylphenyl)ethyl]piperidine
• IUPAC Traditional name: 4-[2-(4-methylphenyl)ethyl]piperidine
• Synonyms: 4-[2-(4-methylphenyl)ethyl]piperidine

Database IDs

• CAS Number: 26614-98-2
• MDL Number: MFCD06740671
• PubChem SID: 164308341
• PubChem CID: 4778237

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2492813
• LogD (pH = 7.4): 0.70560694
• Log P: 3.4808695
• Molar Refractivity: 65.7222 cm^3
• Polarizability: 25.772339 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.9

Product Information

• Purity: 95%