1-(piperidin-3-yl)imidazolidin-2-one

• ChemBase ID: 261160
• Molecular Formular: C8H15N3O
• Molecular Mass: 169.2242
• Monoisotopic Mass: 169.12151212
• SMILES: C1(=O)N(C2CNCCC2)CCN1
• Canonical SMILES: O=C1NCCN1C1CCCNC1
• InChI: InChI=1S/C8H15N3O/c12-8-10-4-5-11(8)7-2-1-3-9-6-7/h7,9H,1-6H2,(H,10,12)
• InChIKey: UTIBMAPIRONOEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13195822
• PubChem SID: 164317070
• PubChem CID: 45791720

CALCULATED PROPERTIES

• Acid pKa: 14.30191
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.938527
• LogD (pH = 7.4): -2.85656
• Log P: -0.76316947
• Molar Refractivity: 45.7993 cm^3
• Polarizability: 17.894016 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.688

Product Information

• Purity: 95%