1-methyl-3-(propan-2-yl)piperazin-2-one

• ChemBase ID: 307494
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1(=O)N(CCNC1C(C)C)C
• Canonical SMILES: CC(C1NCCN(C1=O)C)C
• InChI: InChI=1S/C8H16N2O/c1-6(2)7-8(11)10(3)5-4-9-7/h6-7,9H,4-5H2,1-3H3
• InChIKey: ZZOGALOMUFZTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-(propan-2-yl)piperazin-2-one
• IUPAC Traditional name: 3-isopropyl-1-methylpiperazin-2-one
• Synonyms: 3-isopropyl-1-methylpiperazin-2-one

Database IDs

• CAS Number: 1073556-03-2
• MDL Number: MFCD08060028

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7245576
• LogD (pH = 7.4): -0.11711139
• Log P: 0.21024887
• Molar Refractivity: 43.9141 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2