1-(3-phenylpropyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 257355
• Molecular Formular: C14H24Cl2N2
• Molecular Mass: 291.25976
• Monoisotopic Mass: 290.13165414
• SMILES: N1(CCC(CC1)N)CCCc1ccccc1.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CCCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C14H22N2.2ClH/c15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13;;/h1-3,5-6,14H,4,7-12,15H2;2*1H
• InChIKey: MOSPNIOWIBJMIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-phenylpropyl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(3-phenylpropyl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(3-phenylpropyl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD11505399
• PubChem SID: 164313265
• PubChem CID: 21994019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.997514
• LogD (pH = 7.4): -1.937722
• Log P: 1.8590503
• Molar Refractivity: 69.3385 cm^3
• Polarizability: 27.369953 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 283 - 285°C
• Hydrophobicity(logP): 1.7

Product Information

• Purity: 95%