1-(2-methylpropyl)piperazin-2-one

• ChemBase ID: 810379
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1(=O)CNCCN1CC(C)C
• Canonical SMILES: CC(CN1CCNCC1=O)C
• InChI: InChI=1S/C8H16N2O/c1-7(2)6-10-4-3-9-5-8(10)11/h7,9H,3-6H2,1-2H3
• InChIKey: YULBVDIZTAMXKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)piperazin-2-one
• IUPAC Traditional name: 1-(2-methylpropyl)piperazin-2-one
• Synonyms: 1-(2-METHYLPROPYL)PIPERAZIN-2-ONE

Database IDs

• CAS Number: 893747-69-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5573858
• LogD (pH = 7.4): -0.16273077
• Log P: -0.001707413
• Molar Refractivity: 44.1688 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%