1-phenyl-3-(piperidin-1-yl)propan-2-amine dihydrochloride

• ChemBase ID: 268739
• Molecular Formular: C14H24Cl2N2
• Molecular Mass: 291.25976
• Monoisotopic Mass: 290.13165414
• SMILES: N1(CC(Cc2ccccc2)N)CCCCC1.Cl.Cl
• Canonical SMILES: NC(Cc1ccccc1)CN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C14H22N2.2ClH/c15-14(11-13-7-3-1-4-8-13)12-16-9-5-2-6-10-16;;/h1,3-4,7-8,14H,2,5-6,9-12,15H2;2*1H
• InChIKey: WPOCUMCGNGEONH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-3-(piperidin-1-yl)propan-2-amine dihydrochloride
• IUPAC Traditional name: 1-phenyl-3-(piperidin-1-yl)propan-2-amine dihydrochloride
• Synonyms: 1-phenyl-3-(piperidin-1-yl)propan-2-amine dihydrochloride

Database IDs

• MDL Number: MFCD16622195
• PubChem SID: 164324649
• PubChem CID: 9857195

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.361898
• LogD (pH = 7.4): -0.018941894
• Log P: 2.3164532
• Molar Refractivity: 69.1177 cm^3
• Polarizability: 27.368906 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.76

Product Information

• Purity: 95%