1-[2-(piperazin-1-yl)ethyl]-1,2-dihydropyridin-2-one dihydrochloride

• ChemBase ID: 273140
• Molecular Formular: C11H19Cl2N3O
• Molecular Mass: 280.19406
• Monoisotopic Mass: 279.0905176
• SMILES: n1(c(=O)cccc1)CCN1CCNCC1.Cl.Cl
• Canonical SMILES: O=c1ccccn1CCN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H17N3O.2ClH/c15-11-3-1-2-6-14(11)10-9-13-7-4-12-5-8-13;;/h1-3,6,12H,4-5,7-10H2;2*1H
• InChIKey: IQUCFKKDJFRDBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(piperazin-1-yl)ethyl]-1,2-dihydropyridin-2-one dihydrochloride
• IUPAC Traditional name: 1-[2-(piperazin-1-yl)ethyl]pyridin-2-one dihydrochloride
• Synonyms: 1-[2-(piperazin-1-yl)ethyl]-1,2-dihydropyridin-2-one dihydrochloride

Database IDs

• PubChem SID: 164329050
• PubChem CID: 12704872

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4169235
• LogD (pH = 7.4): -2.096693
• Log P: -0.27674586
• Molar Refractivity: 61.7165 cm^3
• Polarizability: 23.310724 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.33

Product Information

• Purity: 95%