1,4-diphenylpiperazine

• ChemBase ID: 107627
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: C1CN(CCN1c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C16H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-10H,11-14H2
• InChIKey: LLZRSOPHIGKISM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diphenylpiperazine
• IUPAC Traditional name: 1,4-diphenylpiperazine
• Synonyms: 1,4-DIPHENYLPIPERAZINE

Database IDs

• CAS Number: 613-39-8
• EC Number: 210-340-3
• PubChem SID: 162093741
• PubChem CID: 69173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.813019
• LogD (pH = 7.4): 3.8194468
• Log P: 3.8195295
• Molar Refractivity: 77.0352 cm^3
• Polarizability: 28.892824 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204392

MP Biomedicals Rare Chemical collection