3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol

C19H27FN2O2 — CID 656041

IUPAC3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccccc2F)CC2CCC(C1)N2CCN1CCOCC1
InChIInChI=1S/C19H27FN2O2/c20-18-4-2-1-3-17(18)19(23)13-15-5-6-16(14-19)22(15)8-7-21-9-11-24-12-10-21/h1-4,15-16,23H,5-14H2
InChIKeyGNWGWWHOAXEVLW-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.97
Rot. Bonds4

About 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 656041) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID656041
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccccc2F)CC2CCC(C1)N2CCN1CCOCC1
InChIInChI=1S/C19H27FN2O2/c20-18-4-2-1-3-17(18)19(23)13-15-5-6-16(14-19)22(15)8-7-21-9-11-24-12-10-21/h1-4,15-16,23H,5-14H2
InChIKeyGNWGWWHOAXEVLW-UHFFFAOYSA-N
XLogP1.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1R)-2-[(1S,5R)-3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168270550
(1R)-2-[(1S,5R)-3-benzylidene-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)ethanol
CID 168270750
(1S)-2-[(1R,5S)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168273053
(1R)-2-[(1S,5R)-3-benzyl-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)ethanol
CID 168276105
(1R)-2-[(1S,5R)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168278843
3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(2-morpholin-4-yl-ethoxy)-ethyl]-8-aza-bicyclo[3.2.1]octane
CID 44342206
(1S)-2-[(1S,5R)-3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168275173
2-[3-(4-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3228776
3-(4-Fluoro-phenyl)-8-(2-hydroxy-ethyl)-8-aza-bicyclo[3.2.1]octan-3-ol
CID 649551
4-Morpholinepropanol, alpha,alpha-diphenyl-
CID 199577
3,4-Di-4-morpholinyl-2,4-diphenyl-2-butanol
CID 222131
4-(2-Fluorophenyl)-1-(2-piperidin-1-ylethyl)piperidin-4-ol
CID 6487628

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 656041) is 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2ccccc2F)CC2CCC(C1)N2CCN1CCOCC1.
What is the InChIKey of 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GNWGWWHOAXEVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-18-4-2-1-3-17(18)19(23)13-15-5-6-16(14-19)22(15)8-7-21-9-11-24-12-10-21/h1-4,15-16,23H,5-14H2.
What are the key properties of 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 334.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-8-(2-morpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 656041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).