[(1-benzylpiperidin-4-yl)methyl](methyl)amine

• ChemBase ID: 306947
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(Cc2ccccc2)CCC(CC1)CNC
• Canonical SMILES: CNCC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C14H22N2/c1-15-11-13-7-9-16(10-8-13)12-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
• InChIKey: ZCMNLHOSHQVDRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-benzylpiperidin-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-benzylpiperidin-4-yl)methyl](methyl)amine
• Synonyms: 1-(1-benzylpiperidin-4-yl)-N-methylmethanamine

Database IDs

• CAS Number: 147908-88-1
• MDL Number: MFCD09864266

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5587187
• LogD (pH = 7.4): -2.876549
• Log P: 2.0190015
• Molar Refractivity: 69.5751 cm^3
• Polarizability: 27.44732 Å^3
• Polar Surface Area: 15.27 Å^2