2-methyl-3-(piperazin-1-yl)quinoxaline

• ChemBase ID: 122469
• Molecular Formular: C13H16N4
• Molecular Mass: 228.29294
• Monoisotopic Mass: 228.13749653
• SMILES: c1(nc2c(nc1C)cccc2)N1CCNCC1
• Canonical SMILES: Cc1nc2ccccc2nc1N1CCNCC1
• InChI: InChI=1S/C13H16N4/c1-10-13(17-8-6-14-7-9-17)16-12-5-3-2-4-11(12)15-10/h2-5,14H,6-9H2,1H3
• InChIKey: IPWZRMZLVSDBKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(piperazin-1-yl)quinoxaline
• IUPAC Traditional name: 2-methyl-3-(piperazin-1-yl)quinoxaline
• Synonyms: 2-methyl-3-(piperazin-1-yl)quinoxaline

Database IDs

• PubChem SID: 162216822
• PubChem CID: 2866610

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3574772
• LogD (pH = 7.4): 0.21623258
• Log P: 1.5970216
• Molar Refractivity: 67.5394 cm^3
• Polarizability: 27.148651 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true