4-[2-nitro-5-(piperazin-1-yl)phenyl]morpholine

• ChemBase ID: 311205
• Molecular Formular: C14H20N4O3
• Molecular Mass: 292.3336
• Monoisotopic Mass: 292.15354052
• SMILES: c1([N+](=O)[O-])c(cc(N2CCNCC2)cc1)N1CCOCC1
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1N1CCOCC1)N1CCNCC1
• InChI: InChI=1S/C14H20N4O3/c19-18(20)13-2-1-12(16-5-3-15-4-6-16)11-14(13)17-7-9-21-10-8-17/h1-2,11,15H,3-10H2
• InChIKey: DPJQYITZDFYLGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-nitro-5-(piperazin-1-yl)phenyl]morpholine
• IUPAC Traditional name: 4-[2-nitro-5-(piperazin-1-yl)phenyl]morpholine
• Synonyms: 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine

Database IDs

• CAS Number: 332023-13-9
• MDL Number: MFCD01173869

CALCULATED PROPERTIES

• Polarizability: 29.996122 Å^3
• Polar Surface Area: 70.88 Å^2
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.6072019
• LogD (pH = 7.4): -0.062476028
• Log P: 1.3748889
• Molar Refractivity: 81.0656 cm^3