3-(3-methylphenyl)piperidine

• ChemBase ID: 306835
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: c1(cc(ccc1)C)C1CNCCC1
• Canonical SMILES: Cc1cccc(c1)C1CCCNC1
• InChI: InChI=1S/C12H17N/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3
• InChIKey: OHFNOQQJKQDEOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 343856-70-2
• MDL Number: MFCD08688346

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5535581
• LogD (pH = 7.4): 0.08114741
• Log P: 2.6696858
• Molar Refractivity: 56.4432 cm^3
• Polarizability: 22.076689 Å^3
• Polar Surface Area: 12.03 Å^2