3-(morpholin-4-yl)-8-azabicyclo[3.2.1]octane dihydrochloride

• ChemBase ID: 19493
• Molecular Formular: C11H22Cl2N2O
• Molecular Mass: 269.21118
• Monoisotopic Mass: 268.11091869
• SMILES: C1(N2CCOCC2)CC2NC(C1)CC2.Cl.Cl
• Canonical SMILES: O1CCN(CC1)C1CC2CCC(C1)N2.Cl.Cl
• InChI: InChI=1S/C11H20N2O.2ClH/c1-2-10-8-11(7-9(1)12-10)13-3-5-14-6-4-13;;/h9-12H,1-8H2;2*1H
• InChIKey: WINADKDCDIORJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)-8-azabicyclo[3.2.1]octane dihydrochloride
• IUPAC Traditional name: 3-(morpholin-4-yl)-8-azabicyclo[3.2.1]octane dihydrochloride
• Synonyms: 3-(4-Morpholinyl)-8-azabicyclo[3.2.1]octane dihydrochloride

Database IDs

• MDL Number: MFCD11100475
• PubChem SID: 160982800
• PubChem CID: 46735557

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2810645
• LogD (pH = 7.4): -3.071668
• Log P: 0.14075881
• Molar Refractivity: 56.1004 cm^3
• Polarizability: 22.54838 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false