N-benzyl-N-methylpiperidin-4-amine hydrochloride

• ChemBase ID: 14945
• Molecular Formular: C13H21ClN2
• Molecular Mass: 240.77224
• Monoisotopic Mass: 240.13932636
• SMILES: C1(N(Cc2ccccc2)C)CCNCC1.Cl
• Canonical SMILES: CN(C1CCNCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C13H20N2.ClH/c1-15(13-7-9-14-10-8-13)11-12-5-3-2-4-6-12;/h2-6,13-14H,7-11H2,1H3;1H
• InChIKey: OEYPIIOXYXYLQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methylpiperidin-4-amine hydrochloride
• IUPAC Traditional name: N-benzyl-N-methylpiperidin-4-amine hydrochloride
• Synonyms: Benzyl-methyl-piperidin-4-yl-amine dihydrochloride

Database IDs

• MDL Number: MFCD08445692
• PubChem SID: 160978252
• PubChem CID: 24746773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0714836
• LogD (pH = 7.4): -1.8554102
• Log P: 1.5584008
• Molar Refractivity: 64.7571 cm^3
• Polarizability: 25.600323 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false