1-benzyl-2-methylpiperidin-4-amine

• ChemBase ID: 63195
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(C(CC(CC1)N)C)Cc1ccccc1
• Canonical SMILES: NC1CCN(C(C1)C)Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-11-9-13(14)7-8-15(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
• InChIKey: ZXRSAZKEWVLRNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-methylpiperidin-4-amine
• IUPAC Traditional name: 1-benzyl-2-methylpiperidin-4-amine
• Synonyms: 1-Benzyl-2-methyl-piperidin-4-amine; 1-benzyl-2-methylpiperidin-4-amine

Database IDs

• CAS Number: 321345-30-6
• MDL Number: MFCD14692665
• PubChem SID: 162028934
• PubChem CID: 21922849

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2778735
• LogD (pH = 7.4): -2.207552
• Log P: 1.5423954
• Molar Refractivity: 64.4013 cm^3
• Polarizability: 25.60032 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%