1-phenylpiperidin-4-amine dihydrochloride

• ChemBase ID: 289451
• Molecular Formular: C11H18Cl2N2
• Molecular Mass: 249.18002
• Monoisotopic Mass: 248.08470395
• SMILES: NC1CCN(c2ccccc2)CC1.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH/c12-10-6-8-13(9-7-10)11-4-2-1-3-5-11;;/h1-5,10H,6-9,12H2;2*1H
• InChIKey: AEDVAKLVDZXSNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-phenylpiperidin-4-amine dihydrochloride
• Synonyms: 1-Phenylpiperidin-4-amine dihydrochloride

Database IDs

• CAS Number: 1082662-38-1
• MDL Number: MFCD09743530
• PubChem SID: 180674982
• PubChem CID: 53488161

CALCULATED PROPERTIES

• Log P: 1.2924675
• Molar Refractivity: 55.8684 cm^3
• Polarizability: 21.505304 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7681518
• LogD (pH = 7.4): -1.1933618

PROPERTIES

Product Information

• Purity: 95+%