2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide hydrochloride

• ChemBase ID: 246646
• Molecular Formular: C10H19Cl2N3O2
• Molecular Mass: 284.18276
• Monoisotopic Mass: 283.08543222
• SMILES: N1(C(=O)CCl)CCN(CC(=O)N(C)C)CC1.Cl
• Canonical SMILES: ClCC(=O)N1CCN(CC1)CC(=O)N(C)C.Cl
• InChI: InChI=1S/C10H18ClN3O2.ClH/c1-12(2)10(16)8-13-3-5-14(6-4-13)9(15)7-11;/h3-8H2,1-2H3;1H
• InChIKey: MJBBOCPKHBGVAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide hydrochloride
• IUPAC Traditional name: 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide hydrochloride
• Synonyms: 2-[4-(chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide hydrochloride

Database IDs

• MDL Number: MFCD06673455
• PubChem SID: 164302556
• PubChem CID: 16196297

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2525216
• LogD (pH = 7.4): -1.0827373
• Log P: -1.08008
• Molar Refractivity: 62.7628 cm^3
• Polarizability: 24.26792 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.061

Product Information

• Purity: 95%
• Salt Data: HCl