3-ethyl-1-methylpiperazin-2-one

• ChemBase ID: 307488
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(=O)N(CCNC1CC)C
• Canonical SMILES: CCC1NCCN(C1=O)C
• InChI: InChI=1S/C7H14N2O/c1-3-6-7(10)9(2)5-4-8-6/h6,8H,3-5H2,1-2H3
• InChIKey: TWMDADGNNMFROF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-methylpiperazin-2-one
• IUPAC Traditional name: 3-ethyl-1-methylpiperazin-2-one
• Synonyms: 3-ethyl-1-methylpiperazin-2-one

Database IDs

• MDL Number: MFCD09971185

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9453019
• LogD (pH = 7.4): -0.4080405
• Log P: -0.15472396
• Molar Refractivity: 39.4425 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 32.34 Å^2