1-phenyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride

• ChemBase ID: 66377
• Molecular Formular: C16H25Cl2N3O
• Molecular Mass: 346.2952
• Monoisotopic Mass: 345.1374678
• SMILES: C(=O)(C1CCNCC1)N1CCN(CC1)c1ccccc1.Cl.Cl
• Canonical SMILES: O=C(C1CCNCC1)N1CCN(CC1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C16H23N3O.2ClH/c20-16(14-6-8-17-9-7-14)19-12-10-18(11-13-19)15-4-2-1-3-5-15;;/h1-5,14,17H,6-13H2;2*1H
• InChIKey: OMODCJOKCHOAHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-phenyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride
• Synonyms: (4-Phenylpiperazin-1-yl)piperidin-4-yl-methanone dihydrochloride

Database IDs

• CAS Number: 1184996-07-3
• MDL Number: MFCD05864750
• PubChem SID: 162032115
• PubChem CID: 45036893

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9707361
• LogD (pH = 7.4): -1.3827001
• Log P: 1.2588814
• Molar Refractivity: 81.2395 cm^3
• Polarizability: 31.163116 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%