N-methyl-N-phenylpiperidin-4-amine dihydrochloride

• ChemBase ID: 260035
• Molecular Formular: C12H20Cl2N2
• Molecular Mass: 263.2066
• Monoisotopic Mass: 262.10035401
• SMILES: N(C1CCNCC1)(c1ccccc1)C.Cl.Cl
• Canonical SMILES: CN(c1ccccc1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C12H18N2.2ClH/c1-14(11-5-3-2-4-6-11)12-7-9-13-10-8-12;;/h2-6,12-13H,7-10H2,1H3;2*1H
• InChIKey: SVTRKZBLDXUJHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-phenylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-methyl-N-phenylpiperidin-4-amine dihydrochloride
• Synonyms: N-methyl-N-phenylpiperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD12197103
• PubChem SID: 164315945
• PubChem CID: 45791483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5087035
• LogD (pH = 7.4): -0.7700348
• Log P: 1.7250478
• Molar Refractivity: 60.643 cm^3
• Polarizability: 23.351963 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 1.919

Product Information

• Purity: 95%