2-(piperazin-1-yl)acetamide dihydrochloride

• ChemBase ID: 11442
• Molecular Formular: C6H15Cl2N3O
• Molecular Mass: 216.1088
• Monoisotopic Mass: 215.05921748
• SMILES: N1(CC(=O)N)CCNCC1.Cl.Cl
• Canonical SMILES: NC(=O)CN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C6H13N3O.2ClH/c7-6(10)5-9-3-1-8-2-4-9;;/h8H,1-5H2,(H2,7,10);2*1H
• InChIKey: ZYEZQABMMXYTIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)acetamide dihydrochloride
• IUPAC Traditional name: 2-(piperazin-1-yl)acetamide dihydrochloride
• Synonyms: 2-Piperazin-1-yl-acetamide dihydrochloride; 2-(piperazin-1-yl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD09475554
• PubChem SID: 160974749
• PubChem CID: 17750375

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 16.428772
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.7045565
• LogD (pH = 7.4): -3.2021475
• Log P: -1.6747181
• Molar Refractivity: 38.6503 cm^3
• Polarizability: 15.323374 Å^3
• Polar Surface Area: 58.36 Å^2

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): -1.234

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: 2 HCl