5-methylpiperazin-2-one

• ChemBase ID: 808169
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: C1(=O)CNC(CN1)C
• Canonical SMILES: CC1CNC(=O)CN1
• InChI: InChI=1S/C5H10N2O/c1-4-2-7-5(8)3-6-4/h4,6H,2-3H2,1H3,(H,7,8)
• InChIKey: SODLPCCEKPQWAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpiperazin-2-one
• IUPAC Traditional name: 5-methylpiperazin-2-one
• Synonyms: 5-METHYL-PIPERAZIN-2-ONE

CALCULATED PROPERTIES

• Acid pKa: 14.545158
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.709164
• LogD (pH = 7.4): -1.2495966
• Log P: -1.0531117
• Molar Refractivity: 29.9467 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%