3-ethyl-5-methyl-5-(piperidin-3-yl)imidazolidine-2,4-dione hydrochloride

• ChemBase ID: 247818
• Molecular Formular: C11H20ClN3O2
• Molecular Mass: 261.7484
• Monoisotopic Mass: 261.12440458
• SMILES: N1(C(=O)NC(C1=O)(C1CNCCC1)C)CC.Cl
• Canonical SMILES: CCN1C(=O)NC(C1=O)(C)C1CCCNC1.Cl
• InChI: InChI=1S/C11H19N3O2.ClH/c1-3-14-9(15)11(2,13-10(14)16)8-5-4-6-12-7-8;/h8,12H,3-7H2,1-2H3,(H,13,16);1H
• InChIKey: BWLHZGIQSKDVCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-5-methyl-5-(piperidin-3-yl)imidazolidine-2,4-dione hydrochloride
• IUPAC Traditional name: 3-ethyl-5-methyl-5-(piperidin-3-yl)imidazolidine-2,4-dione hydrochloride
• Synonyms: 3-ethyl-5-methyl-5-(piperidin-3-yl)imidazolidine-2,4-dione hydrochloride

Database IDs

• PubChem SID: 164303728
• PubChem CID: 71758315

CALCULATED PROPERTIES

• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 11.829923
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.308191
• LogD (pH = 7.4): -2.790059
• Log P: -0.2333103
• Molar Refractivity: 60.0256 cm^3
• Polarizability: 23.504938 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.114

Product Information

• Purity: 95%