1-ethylpiperazin-2-one

• ChemBase ID: 307108
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: N1(C(=O)CNCC1)CC
• Canonical SMILES: CCN1CCNCC1=O
• InChI: InChI=1S/C6H12N2O/c1-2-8-4-3-7-5-6(8)9/h7H,2-5H2,1H3
• InChIKey: SCGAVZGSIVHGPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpiperazin-2-one
• IUPAC Traditional name: 1-ethylpiperazin-2-one
• Synonyms: 1-ethylpiperazin-2-one

Database IDs

• CAS Number: 59702-08-8
• MDL Number: MFCD06803963

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4449103
• LogD (pH = 7.4): -1.0502355
• Log P: -0.88920265
• Molar Refractivity: 35.1732 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%