4-ethylpiperazin-2-one

• ChemBase ID: 309755
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C1(=O)NCCN(C1)CC
• Canonical SMILES: CCN1CCNC(=O)C1
• InChI: InChI=1S/C6H12N2O/c1-2-8-4-3-7-6(9)5-8/h2-5H2,1H3,(H,7,9)
• InChIKey: PEOVTXAOQZOBEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperazin-2-one
• IUPAC Traditional name: 4-ethylpiperazin-2-one
• Synonyms: 4-ethyl-2-piperazinone

Database IDs

• MDL Number: MFCD19159703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2093592
• LogD (pH = 7.4): -0.8667437
• Log P: -0.72983074
• Molar Refractivity: 35.5712 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 32.34 Å^2