4-[2-(pyridin-2-yl)ethyl]morpholine

• ChemBase ID: 78746
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(CCc2ncccc2)CCOCC1
• Canonical SMILES: O1CCN(CC1)CCc1ccccn1
• InChI: InChI=1S/C11H16N2O/c1-2-5-12-11(3-1)4-6-13-7-9-14-10-8-13/h1-3,5H,4,6-10H2
• InChIKey: GRKACIXCRNRVBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyridin-2-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(pyridin-2-yl)ethyl]morpholine
• Synonyms: 4-[2-(2-pyridyl)ethyl]morpholine

Database IDs

• MDL Number: MFCD00023385
• PubChem SID: 162043509
• PubChem CID: 95909

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5227409
• LogD (pH = 7.4): 0.7001466
• Log P: 0.79695433
• Molar Refractivity: 55.6955 cm^3
• Polarizability: 21.891148 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true