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

• ChemBase ID: 235404
• Molecular Formular: C10H18ClN3O2
• Molecular Mass: 247.72182
• Monoisotopic Mass: 247.10875451
• SMILES: N1(C(=O)NC(C1=O)(C1CNCCC1)C)C.Cl
• Canonical SMILES: O=C1NC(C(=O)N1C)(C)C1CCCNC1.Cl
• InChI: InChI=1S/C10H17N3O2.ClH/c1-10(7-4-3-5-11-6-7)8(14)13(2)9(15)12-10;/h7,11H,3-6H2,1-2H3,(H,12,15);1H
• InChIKey: QLDQERQMYNDMOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22369797
• PubChem SID: 164291314
• PubChem CID: 71755504

CALCULATED PROPERTIES

• Acid pKa: 11.789742
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6649976
• LogD (pH = 7.4): -3.1468372
• Log P: -0.6000464
• Molar Refractivity: 55.277 cm^3
• Polarizability: 21.672688 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.415

Product Information

• Purity: 95%