1-(4-methoxy-2-nitrophenyl)piperazine

• ChemBase ID: 311200
• Molecular Formular: C11H15N3O3
• Molecular Mass: 237.2551
• Monoisotopic Mass: 237.11134136
• SMILES: c1([N+](=O)[O-])c(N2CCNCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)[N+](=O)[O-])N1CCNCC1
• InChI: InChI=1S/C11H15N3O3/c1-17-9-2-3-10(11(8-9)14(15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
• InChIKey: DUBKMKNZGRREBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxy-2-nitrophenyl)piperazine
• IUPAC Traditional name: 1-(4-methoxy-2-nitrophenyl)piperazine
• Synonyms: 1-(4-methoxy-2-nitrophenyl)piperazine

Database IDs

• CAS Number: 330633-73-3
• MDL Number: MFCD01173871

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.626778
• LogD (pH = 7.4): -0.053626128
• Log P: 1.3276743
• Molar Refractivity: 64.0257 cm^3
• Polarizability: 24.043629 Å^3
• Polar Surface Area: 67.64 Å^2