N-benzyl-N-methylpiperidin-3-amine hydrochloride

• ChemBase ID: 38211
• Molecular Formular: C13H21ClN2
• Molecular Mass: 240.77224
• Monoisotopic Mass: 240.13932636
• SMILES: N(Cc1ccccc1)(C1CNCCC1)C.Cl
• Canonical SMILES: CN(C1CCCNC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C13H20N2.ClH/c1-15(13-8-5-9-14-10-13)11-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H
• InChIKey: NZRDLZJPIRTLBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methylpiperidin-3-amine hydrochloride
• IUPAC Traditional name: N-benzyl-N-methylpiperidin-3-amine hydrochloride
• Synonyms: Benzyl-methyl-piperidin-3-yl-amine hydrochloride

Database IDs

• MDL Number: MFCD12028485
• PubChem SID: 161001518
• PubChem CID: 46737084

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4755998
• LogD (pH = 7.4): -0.5331372
• 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false