1-[2-(piperidin-1-yl)ethyl]imidazolidin-2-one

• ChemBase ID: 61593
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C1(=O)N(CCN2CCCCC2)CCN1
• Canonical SMILES: O=C1NCCN1CCN1CCCCC1
• InChI: InChI=1S/C10H19N3O/c14-10-11-4-7-13(10)9-8-12-5-2-1-3-6-12/h1-9H2,(H,11,14)
• InChIKey: QIMQGBDWMCXROL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(piperidin-1-yl)ethyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[2-(piperidin-1-yl)ethyl]imidazolidin-2-one
• Synonyms: 1-[2-(Piperidin-1-yl)ethyl]imidazolidin-2-one

Database IDs

• MDL Number: MFCD19686121
• PubChem SID: 162027334
• PubChem CID: 17987132

CALCULATED PROPERTIES

• Acid pKa: 14.42976
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9727733
• LogD (pH = 7.4): -1.2492056
• Log P: 0.004680046
• Molar Refractivity: 56.0248 cm^3
• Polarizability: 21.566858 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91 °C; 89-91°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%