(2R)-2-[(4-nitrophenyl)methyl]piperazine

• ChemBase ID: 807985
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: [C@H]1(CNCCN1)Cc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)C[C@H]1NCCNC1
• InChI: InChI=1S/C11H15N3O2/c15-14(16)11-3-1-9(2-4-11)7-10-8-12-5-6-13-10/h1-4,10,12-13H,5-8H2/t10-/m1/s1
• InChIKey: LMAMVUGRWPOOJZ-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(4-nitrophenyl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-[(4-nitrophenyl)methyl]piperazine
• Synonyms: (R)-2-(4-NITRO-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9354645
• LogD (pH = 7.4): -0.5476693
• Log P: 1.2840787
• Molar Refractivity: 60.8071 cm^3
• Polarizability: 23.641075 Å^3
• Polar Surface Area: 67.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%