1-(morpholin-4-ylmethyl)piperidin-2-one

• ChemBase ID: 86187
• Molecular Formular: C10H18N2O2
• Molecular Mass: 198.26212
• Monoisotopic Mass: 198.13682783
• SMILES: N1(C(=O)CCCC1)CN1CCOCC1
• Canonical SMILES: O=C1CCCCN1CN1CCOCC1
• InChI: InChI=1S/C10H18N2O2/c13-10-3-1-2-4-12(10)9-11-5-7-14-8-6-11/h1-9H2
• InChIKey: NEDSEXCXEDYYMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-ylmethyl)piperidin-2-one
• IUPAC Traditional name: 1-(morpholin-4-ylmethyl)piperidin-2-one
• Synonyms: 1-(morpholinomethyl)piperidin-2-one

Database IDs

• MDL Number: MFCD00277661
• PubChem SID: 162073303
• PubChem CID: 2797874

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.2903593
• LogD (pH = 7.4): -0.0062650526
• Log P: -0.0011195546
• Molar Refractivity: 53.6587 cm^3
• Polarizability: 21.132917 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true