1-benzyl-N-methylpiperidin-3-amine

• ChemBase ID: 260394
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(Cc2ccccc2)CC(NC)CCC1
• Canonical SMILES: CNC1CCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
• InChIKey: XYFAEHZVQWTOPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-methylpiperidin-3-amine
• IUPAC Traditional name: 1-benzyl-N-methylpiperidin-3-amine
• Synonyms: 1-benzyl-N-methylpiperidin-3-amine

Database IDs

• MDL Number: MFCD11183085
• PubChem SID: 164316304
• PubChem CID: 21512534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3926668
• LogD (pH = 7.4): -0.67031926
• Log P: 2.0158038
• Molar Refractivity: 64.5363 cm^3
• Polarizability: 25.600323 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.278

Product Information

• Purity: 95%