3-methyl-2-(4-methylphenyl)piperidine

• ChemBase ID: 277574
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(NCCCC1C)c1ccc(cc1)C
• Canonical SMILES: CC1CCCNC1c1ccc(cc1)C
• InChI: InChI=1S/C13H19N/c1-10-5-7-12(8-6-10)13-11(2)4-3-9-14-13/h5-8,11,13-14H,3-4,9H2,1-2H3
• InChIKey: HKWHMGVCYMBYQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-2-(4-methylphenyl)piperidine
• IUPAC Traditional name: 3-methyl-2-(4-methylphenyl)piperidine
• Synonyms: 3-methyl-2-(4-methylphenyl)piperidine

Database IDs

• MDL Number: MFCD11128070
• PubChem SID: 164333484
• PubChem CID: 43185323

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.104800746
• LogD (pH = 7.4): 0.8578711
• Log P: 3.320122
• Molar Refractivity: 60.631 cm^3
• Polarizability: 24.002783 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.511

Product Information

• Purity: 95%