(2S,3S)-2,3-diphenylpiperazine

• ChemBase ID: 808098
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: [C@@H]1([C@@H](NCCN1)c1ccccc1)c1ccccc1
• Canonical SMILES: C1CN[C@H]([C@@H](N1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H18N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-/m0/s1
• InChIKey: NXYCTQXWYWRZDE-HOTGVXAUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S)-2,3-diphenylpiperazine
• IUPAC Traditional name: (2S,3S)-2,3-diphenylpiperazine
• Synonyms: (2S,3S)-2,3-DIPHENYL-PIPERAZINE

Database IDs

• CAS Number: 81602-00-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.25171736
• LogD (pH = 7.4): 1.2714332
• Log P: 2.8396735
• Molar Refractivity: 74.0144 cm^3
• Polarizability: 29.698515 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%