methyl({2-[2-(piperidin-4-ylmethyl)phenyl]ethyl})amine dihydrochloride

• ChemBase ID: 89224
• Molecular Formular: C15H26Cl2N2
• Molecular Mass: 305.28634
• Monoisotopic Mass: 304.1473042
• SMILES: N1CCC(CC1)Cc1ccccc1CCNC.Cl.Cl
• Canonical SMILES: CNCCc1ccccc1CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C15H24N2.2ClH/c1-16-9-8-14-4-2-3-5-15(14)12-13-6-10-17-11-7-13;;/h2-5,13,16-17H,6-12H2,1H3;2*1H
• InChIKey: GWRHAMGXSNFFDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({2-[2-(piperidin-4-ylmethyl)phenyl]ethyl})amine dihydrochloride
• IUPAC Traditional name: methyl({2-[2-(piperidin-4-ylmethyl)phenyl]ethyl})amine dihydrochloride
• Synonyms: N-Methyl-2-[2-(4-piperidylmethyl)phenyl]-1-ethanamine, dihydrochloride

Database IDs

• MDL Number: MFCD04066719
• PubChem SID: 162076106
• PubChem CID: 44119557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0861077
• LogD (pH = 7.4): -3.0156593
• Log P: 2.3698895
• Molar Refractivity: 74.083 cm^3
• Polarizability: 29.133574 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Hygroscopic