1-(2,2-dimethylpiperazin-1-yl)ethan-1-one

• ChemBase ID: 245490
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(C(=O)C)C(CNCC1)(C)C
• Canonical SMILES: CC(=O)N1CCNCC1(C)C
• InChI: InChI=1S/C8H16N2O/c1-7(11)10-5-4-9-6-8(10,2)3/h9H,4-6H2,1-3H3
• InChIKey: BRMCPKCISPAWHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dimethylpiperazin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(2,2-dimethylpiperazin-1-yl)ethanone
• Synonyms: 1-(2,2-dimethylpiperazin-1-yl)ethan-1-one

Database IDs

• MDL Number: MFCD19285183
• PubChem SID: 164301400
• PubChem CID: 64981211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9220502
• LogD (pH = 7.4): -1.1877286
• Log P: -0.42171288
• Molar Refractivity: 44.0717 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.211

Product Information

• Purity: 95%