4-(2-methylphenyl)piperidine

• ChemBase ID: 271174
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: c1(c(C)cccc1)C1CCNCC1
• Canonical SMILES: Cc1ccccc1C1CCNCC1
• InChI: InChI=1S/C12H17N/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
• InChIKey: ICRCMOXGEJQDSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05189913
• PubChem SID: 164327084
• PubChem CID: 11412671

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6306941
• LogD (pH = 7.4): 0.017956033
• Log P: 2.591732
• Molar Refractivity: 56.5202 cm^3
• Polarizability: 22.077387 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.792

Product Information

• Purity: 95%