4-[6-(morpholin-4-yl)pyridin-2-yl]morpholine

• ChemBase ID: 74043
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: n1c(cccc1N1CCOCC1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C13H19N3O2/c1-2-12(15-4-8-17-9-5-15)14-13(3-1)16-6-10-18-11-7-16/h1-3H,4-11H2
• InChIKey: IGTLWBLATPAXQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(morpholin-4-yl)pyridin-2-yl]morpholine
• IUPAC Traditional name: 4-[6-(morpholin-4-yl)pyridin-2-yl]morpholine
• Synonyms: 4,4'-Pyridine-2,6-diyldimorpholine; 2,6-Bis(morpholin-4-yl)pyridine 95+%

Database IDs

• MDL Number: MFCD01631240
• PubChem SID: 162038962
• PubChem CID: 23504413

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.114303336
• LogD (pH = 7.4): 1.1554422
• Log P: 1.7235752
• Molar Refractivity: 71.5343 cm^3
• Polarizability: 26.381289 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-123°C

Safety Information

• Storage Warning: Irritant