1-ethyl-3-(piperidin-4-yl)imidazolidin-2-one hydrochloride

• ChemBase ID: 274256
• Molecular Formular: C10H20ClN3O
• Molecular Mass: 233.7383
• Monoisotopic Mass: 233.12948996
• SMILES: C1(=O)N(CCN1CC)C1CCNCC1.Cl
• Canonical SMILES: CCN1CCN(C1=O)C1CCNCC1.Cl
• InChI: InChI=1S/C10H19N3O.ClH/c1-2-12-7-8-13(10(12)14)9-3-5-11-6-4-9;/h9,11H,2-8H2,1H3;1H
• InChIKey: WPSOKDXVADWJQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-(piperidin-4-yl)imidazolidin-2-one hydrochloride
• IUPAC Traditional name: 1-ethyl-3-(piperidin-4-yl)imidazolidin-2-one hydrochloride
• Synonyms: 1-ethyl-3-(piperidin-4-yl)imidazolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD18917256
• PubChem SID: 164330166
• PubChem CID: 54593098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.86025
• LogD (pH = 7.4): -3.1753016
• Log P: -0.6400884
• Molar Refractivity: 55.6654 cm^3
• Polarizability: 21.566858 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.179

Product Information

• Purity: 95%