1-benzyl-3-methylpiperidin-4-amine

• ChemBase ID: 275553
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(CC(C(CC1)N)C)Cc1ccccc1
• Canonical SMILES: NC1CCN(CC1C)Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
• InChIKey: MGTFEKWKCLDVNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-methylpiperidin-4-amine
• IUPAC Traditional name: 1-benzyl-3-methylpiperidin-4-amine
• Synonyms: 1-benzyl-3-methylpiperidin-4-amine; 1-Benzyl-3-methyl-piperidin-4-ylamine

Database IDs

• CAS Number: 82378-86-7
• MDL Number: MFCD09608002
• PubChem SID: 164331463
• PubChem CID: 22278835

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.22291
• LogD (pH = 7.4): -2.177866
• Log P: 1.6051439
• Molar Refractivity: 64.3989 cm^3
• Polarizability: 25.600323 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.701

Product Information

• Purity: 95%; 96%