1-[2-(piperazin-1-yl)ethyl]pyrrolidine-2,5-dione dihydrochloride

• ChemBase ID: 260920
• Molecular Formular: C10H19Cl2N3O2
• Molecular Mass: 284.18276
• Monoisotopic Mass: 283.08543222
• SMILES: N1(C(=O)CCC1=O)CCN1CCNCC1.Cl.Cl
• Canonical SMILES: O=C1CCC(=O)N1CCN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H17N3O2.2ClH/c14-9-1-2-10(15)13(9)8-7-12-5-3-11-4-6-12;;/h11H,1-8H2;2*1H
• InChIKey: ZZHXRQOVMXORJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(piperazin-1-yl)ethyl]pyrrolidine-2,5-dione dihydrochloride
• IUPAC Traditional name: 1-[2-(piperazin-1-yl)ethyl]pyrrolidine-2,5-dione dihydrochloride
• Synonyms: 1-[2-(piperazin-1-yl)ethyl]pyrrolidine-2,5-dione dihydrochloride

Database IDs

• MDL Number: MFCD12197375
• PubChem SID: 164316830
• PubChem CID: 45791658

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.427295
• LogD (pH = 7.4): -3.1070518
• Log P: -1.2870793
• Molar Refractivity: 55.9526 cm^3
• Polarizability: 22.049286 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.84

Product Information

• Purity: 95%