1-phenyl-4-(piperidin-3-yl)piperazine dihydrochloride

• ChemBase ID: 273124
• Molecular Formular: C15H25Cl2N3
• Molecular Mass: 318.2851
• Monoisotopic Mass: 317.14255318
• SMILES: N1(CCN(CC1)C1CNCCC1)c1ccccc1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)N1CCN(CC1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C15H23N3.2ClH/c1-2-5-14(6-3-1)17-9-11-18(12-10-17)15-7-4-8-16-13-15;;/h1-3,5-6,15-16H,4,7-13H2;2*1H
• InChIKey: PZCBWDOJZXZRQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-4-(piperidin-3-yl)piperazine dihydrochloride
• IUPAC Traditional name: 1-phenyl-4-(piperidin-3-yl)piperazine dihydrochloride
• Synonyms: 1-phenyl-4-(piperidin-3-yl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD18483269
• PubChem SID: 164329034
• PubChem CID: 53519271

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7465906
• LogD (pH = 7.4): -0.4177819
• Log P: 2.0295703
• Molar Refractivity: 76.4723 cm^3
• Polarizability: 29.670906 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 296 - 298°C
• Hydrophobicity(logP): 2.081

Product Information

• Purity: 95%