4-[2-(piperidin-4-ylmethoxy)ethyl]morpholine

• ChemBase ID: 20754
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: N1(CCOCC2CCNCC2)CCOCC1
• Canonical SMILES: N1CCC(CC1)COCCN1CCOCC1
• InChI: InChI=1S/C12H24N2O2/c1-3-13-4-2-12(1)11-16-10-7-14-5-8-15-9-6-14/h12-13H,1-11H2
• InChIKey: OAKNXOZIZKJXTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-4-ylmethoxy)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(piperidin-4-ylmethoxy)ethyl]morpholine
• Synonyms: 4-[2-(4-Piperidinylmethoxy)ethyl]morpholine

Database IDs

• MDL Number: MFCD08688497
• PubChem SID: 160984061
• PubChem CID: 26191013

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.5052643
• LogD (pH = 7.4): -2.8356369
• Log P: 0.029052444
• Molar Refractivity: 65.0805 cm^3
• Polarizability: 25.811054 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false