2-(4-methylpiperazin-1-yl)acetamide

• ChemBase ID: 239949
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: N1(CC(=O)N)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C7H15N3O/c1-9-2-4-10(5-3-9)6-7(8)11/h2-6H2,1H3,(H2,8,11)
• InChIKey: VRZZMRYGHFNKEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperazin-1-yl)acetamide
• IUPAC Traditional name: 2-(4-methylpiperazin-1-yl)acetamide
• Synonyms: 2-(4-methylpiperazin-1-yl)acetamide

Database IDs

• MDL Number: MFCD06081244
• PubChem SID: 164295859
• PubChem CID: 17996128

CALCULATED PROPERTIES

• Acid pKa: 16.49783
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4398434
• LogD (pH = 7.4): -1.74465
• Log P: -1.2916702
• Molar Refractivity: 43.945 cm^3
• Polarizability: 17.160337 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.704

Product Information

• Purity: 95%