3-(2-methylphenyl)piperidine

• ChemBase ID: 306834
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: c1(c(C)cccc1)C1CNCCC1
• Canonical SMILES: Cc1ccccc1C1CCCNC1
• InChI: InChI=1S/C12H17N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3
• InChIKey: KQSRZADCJRPBDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 661470-63-9
• MDL Number: MFCD09802306

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5529081
• LogD (pH = 7.4): 0.09292005
• Log P: 2.6696858
• Molar Refractivity: 56.4432 cm^3
• Polarizability: 22.07669 Å^3
• Polar Surface Area: 12.03 Å^2