4-ethyl-3-methylpiperazin-2-one

• ChemBase ID: 309740
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(=O)C(N(CCN1)CC)C
• Canonical SMILES: CCN1CCNC(=O)C1C
• InChI: InChI=1S/C7H14N2O/c1-3-9-5-4-8-7(10)6(9)2/h6H,3-5H2,1-2H3,(H,8,10)
• InChIKey: OLGAHMATLDVOFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-3-methylpiperazin-2-one
• IUPAC Traditional name: 4-ethyl-3-methylpiperazin-2-one
• Synonyms: 4-ethyl-3-methyl-2-piperazinone

Database IDs

• MDL Number: MFCD22548411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9311534
• LogD (pH = 7.4): -0.4021983
• Log P: -0.16106652
• Molar Refractivity: 40.0651 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 32.34 Å^2