1-benzyl-3-methylpiperidine

• ChemBase ID: 84695
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N1(Cc2ccccc2)CC(C)CCC1
• Canonical SMILES: CC1CCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
• InChIKey: VUEWBPBFUKIDKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-methylpiperidine
• IUPAC Traditional name: 1-benzyl-3-methylpiperidine
• Synonyms: 1-benzyl-3-methylpiperidine

Database IDs

• MDL Number: MFCD01566854
• PubChem SID: 162071811
• PubChem CID: 2794856

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.30221814
• LogD (pH = 7.4): 0.79475605
• Log P: 3.1299815
• Molar Refractivity: 61.2143 cm^3
• Polarizability: 24.085196 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true