(2S,5S)-2,5-diphenylpiperazine

• ChemBase ID: 806116
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: [C@@H]1(CN[C@H](CN1)c1ccccc1)c1ccccc1
• Canonical SMILES: N1C[C@@H](NC[C@@H]1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H18N2/c1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-/m1/s1
• InChIKey: BZSJSZVGLGMMBK-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S)-2,5-diphenylpiperazine
• IUPAC Traditional name: (2S,5S)-2,5-diphenylpiperazine
• Synonyms: (2S,5S)-2,5-DIPHENYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.25293225
• LogD (pH = 7.4): 1.2686577
• Log P: 2.8396735
• Molar Refractivity: 74.0144 cm^3
• Polarizability: 29.698706 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%