1-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-2-one

• ChemBase ID: 86190
• Molecular Formular: C12H22N2O2
• Molecular Mass: 226.31528
• Monoisotopic Mass: 226.16812795
• SMILES: N1(CN2CC(C)OC(C2)C)C(=O)CCCC1
• Canonical SMILES: CC1CN(CC(O1)C)CN1CCCCC1=O
• InChI: InChI=1S/C12H22N2O2/c1-10-7-13(8-11(2)16-10)9-14-6-4-3-5-12(14)15/h10-11H,3-9H2,1-2H3
• InChIKey: LADXOBIJTKLILR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-2-one
• IUPAC Traditional name: 1-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-2-one
• Synonyms: 1-[(2,6-dimethylmorpholino)methyl]piperidin-2-one

Database IDs

• MDL Number: MFCD00278365
• PubChem SID: 162073306
• PubChem CID: 2797881

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14977324
• LogD (pH = 7.4): 0.8116536
• Log P: 0.8320305
• Molar Refractivity: 62.4963 cm^3
• Polarizability: 24.80672 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true