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

• ChemBase ID: 260874
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: N1CCC(CCc2c(C)cccc2)CC1
• Canonical SMILES: Cc1ccccc1CCC1CCNCC1
• InChI: InChI=1S/C14H21N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-5,13,15H,6-11H2,1H3
• InChIKey: SRINKQNUZYWURJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11186215
• PubChem SID: 164316784
• PubChem CID: 43146708

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: 25.772617 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.85

Product Information

• Purity: 95%