4-[2-(piperidin-3-yl)ethyl]morpholine

• ChemBase ID: 50473
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(CCC2CNCCC2)CCOCC1
• Canonical SMILES: C1CCC(CN1)CCN1CCOCC1
• InChI: InChI=1S/C11H22N2O/c1-2-11(10-12-4-1)3-5-13-6-8-14-9-7-13/h11-12H,1-10H2
• InChIKey: BYSFAURTJRJEHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-3-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(piperidin-3-yl)ethyl]morpholine
• Synonyms: 4-[2-(3-Piperidinyl)ethyl]morpholine

Database IDs

• MDL Number: MFCD13563026
• PubChem SID: 162055236
• PubChem CID: 53409985

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.0226207
• LogD (pH = 7.4): -2.909471
• Log P: 0.5205966
• Molar Refractivity: 58.638 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false