N-methyl-2-(piperazin-1-yl)acetamide

• ChemBase ID: 248100
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: N1(CC(=O)NC)CCNCC1
• Canonical SMILES: CNC(=O)CN1CCNCC1
• InChI: InChI=1S/C7H15N3O/c1-8-7(11)6-10-4-2-9-3-5-10/h9H,2-6H2,1H3,(H,8,11)
• InChIKey: SOTHHBNFPDRYCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(piperazin-1-yl)acetamide
• Synonyms: N-methyl-2-(1-piperazinyl)acetamide; N-methyl-2-piperazin-1-ylacetamide

Database IDs

• CAS Number: 39890-41-0
• MDL Number: MFCD06655511
• PubChem SID: 164304010
• PubChem CID: 4962075

CALCULATED PROPERTIES

• Acid pKa: 16.051573
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.483029
• LogD (pH = 7.4): -2.9803038
• Log P: -1.4510422
• Molar Refractivity: 43.547 cm^3
• Polarizability: 17.160337 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50 - 52°C
• Hydrophobicity(logP): -0.968

Product Information

• Purity: 95%