benzyl(methyl)[2-(piperidin-2-yl)ethyl]amine dihydrochloride

• ChemBase ID: 48083
• Molecular Formular: C15H26Cl2N2
• Molecular Mass: 305.28634
• Monoisotopic Mass: 304.1473042
• SMILES: N1C(CCN(Cc2ccccc2)C)CCCC1.Cl.Cl
• Canonical SMILES: CN(Cc1ccccc1)CCC1CCCCN1.Cl.Cl
• InChI: InChI=1S/C15H24N2.2ClH/c1-17(13-14-7-3-2-4-8-14)12-10-15-9-5-6-11-16-15;;/h2-4,7-8,15-16H,5-6,9-13H2,1H3;2*1H
• InChIKey: WFQHOGWMHNZUGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)[2-(piperidin-2-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: benzyl(methyl)[2-(piperidin-2-yl)ethyl]amine dihydrochloride
• Synonyms: N-Benzyl-N-methyl-2-(2-piperidinyl)-1-ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561625
• PubChem SID: 162052846
• PubChem CID: 56831645

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0088098
• LogD (pH = 7.4): -0.92613494
• Log P: 2.520332
• Molar Refractivity: 74.0027 cm^3
• Polarizability: 29.294327 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false