4-(pyridin-2-ylmethyl)morpholine

• ChemBase ID: 112525
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C1CN(CCO1)Cc1ccccn1
• Canonical SMILES: O1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C10H14N2O/c1-2-4-11-10(3-1)9-12-5-7-13-8-6-12/h1-4H,5-9H2
• InChIKey: LQPVTFUPUUWMIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-ylmethyl)morpholine
• IUPAC Traditional name: 4-(pyridin-2-ylmethyl)morpholine
• Synonyms: 2-(MORPHOLINOMETHYL)PYRIDINE

Database IDs

• CAS Number: 71897-59-1
• PubChem SID: 162097693
• PubChem CID: 269694

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.124452874
• LogD (pH = 7.4): 0.55058956
• Log P: 0.5599416
• Molar Refractivity: 50.9961 cm^3
• Polarizability: 20.12288 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224528

MP Biomedicals Rare Chemical collection