[(1-benzyl-4-methylpiperidin-4-yl)methyl](methyl)amine

• ChemBase ID: 270962
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N1(Cc2ccccc2)CCC(CC1)(CNC)C
• Canonical SMILES: CNCC1(C)CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C15H24N2/c1-15(13-16-2)8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7,16H,8-13H2,1-2H3
• InChIKey: PNRNYQOXAVOQHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-benzyl-4-methylpiperidin-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-benzyl-4-methylpiperidin-4-yl)methyl](methyl)amine
• Synonyms: [(1-benzyl-4-methylpiperidin-4-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD17977035
• PubChem SID: 164326872
• PubChem CID: 50989061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2210984
• LogD (pH = 7.4): -2.5933583
• Log P: 2.3970025
• Molar Refractivity: 73.9732 cm^3
• Polarizability: 29.294325 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.466

Product Information

• Purity: 95%