N-phenylpiperidin-4-amine dihydrochloride

• ChemBase ID: 261075
• Molecular Formular: C11H18Cl2N2
• Molecular Mass: 249.18002
• Monoisotopic Mass: 248.08470395
• SMILES: N1CCC(Nc2ccccc2)CC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Nc1ccccc1.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;;/h1-5,11-13H,6-9H2;2*1H
• InChIKey: CNUNDCRNMZQPFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09759104
• PubChem SID: 164316985
• PubChem CID: 45791702

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1336637
• LogD (pH = 7.4): -1.4057938
• Log P: 1.0897821
• Molar Refractivity: 56.4082 cm^3
• Polarizability: 21.50607 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 1.253

Product Information

• Purity: 95%