1-[2-(morpholin-4-yl)ethyl]piperidin-4-one

• ChemBase ID: 266949
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: N1(CCC(=O)CC1)CCN1CCOCC1
• Canonical SMILES: O=C1CCN(CC1)CCN1CCOCC1
• InChI: InChI=1S/C11H20N2O2/c14-11-1-3-12(4-2-11)5-6-13-7-9-15-10-8-13/h1-10H2
• InChIKey: ZYBZODDEVCJMES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(morpholin-4-yl)ethyl]piperidin-4-one
• IUPAC Traditional name: 1-[2-(morpholin-4-yl)ethyl]piperidin-4-one
• Synonyms: 1-[2-(morpholin-4-yl)ethyl]piperidin-4-one

Database IDs

• MDL Number: MFCD11131145
• PubChem SID: 164322859
• PubChem CID: 18002029

CALCULATED PROPERTIES

• Acid pKa: 17.628553
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5063415
• LogD (pH = 7.4): -0.1632128
• Log P: -0.026723137
• Molar Refractivity: 59.5571 cm^3
• Polarizability: 23.3534 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.542

Product Information

• Purity: 95%