benzyl(methyl)[2-(piperidin-3-yl)ethyl]amine dihydrochloride

• ChemBase ID: 48112
• Molecular Formular: C15H26Cl2N2
• Molecular Mass: 305.28634
• Monoisotopic Mass: 304.1473042
• SMILES: N1CC(CCN(Cc2ccccc2)C)CCC1.Cl.Cl
• Canonical SMILES: CN(Cc1ccccc1)CCC1CCCNC1.Cl.Cl
• InChI: InChI=1S/C15H24N2.2ClH/c1-17(13-15-6-3-2-4-7-15)11-9-14-8-5-10-16-12-14;;/h2-4,6-7,14,16H,5,8-13H2,1H3;2*1H
• InChIKey: MRHNIZPKHBHOPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)[2-(piperidin-3-yl)ethyl]amine dihydrochloride
• IUPAC Traditional name: benzyl(methyl)[2-(piperidin-3-yl)ethyl]amine dihydrochloride
• Synonyms: N-Benzyl-N-methyl-2-(3-piperidinyl)-1-ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561654
• PubChem SID: 162052875
• PubChem CID: 56831679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1585913
• LogD (pH = 7.4): -2.5068972
• Log P: 2.46357
• Molar Refractivity: 74.1761 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