(2R)-2-(2-nitrophenyl)piperazine

• ChemBase ID: 807820
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: [C@H]1(CNCCN1)c1c(cccc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccccc1[C@@H]1CNCCN1
• InChI: InChI=1S/C10H13N3O2/c14-13(15)10-4-2-1-3-8(10)9-7-11-5-6-12-9/h1-4,9,11-12H,5-7H2/t9-/m0/s1
• InChIKey: AISXMVVXDTZTSC-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(2-nitrophenyl)piperazine
• IUPAC Traditional name: (2R)-2-(2-nitrophenyl)piperazine
• Synonyms: (R)-2-(2-NITRO-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8589424
• LogD (pH = 7.4): -0.19566514
• Log P: 0.99541754
• Molar Refractivity: 56.0521 cm^3
• Polarizability: 21.875969 Å^3
• Polar Surface Area: 67.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%