3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C18H25FN2O3 — CID 95802385

IUPAC3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCC(O)(c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C18H25FN2O3/c19-16-3-1-15(2-4-16)18(23)6-9-20(10-7-18)8-5-17(22)21-11-13-24-14-12-21/h1-4,23H,5-14H2
InChIKeyIDMVGAUDOYALNR-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.36
Rot. Bonds4

About 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 95802385) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID95802385
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCC(O)(c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C18H25FN2O3/c19-16-3-1-15(2-4-16)18(23)6-9-20(10-7-18)8-5-17(22)21-11-13-24-14-12-21/h1-4,23H,5-14H2
InChIKeyIDMVGAUDOYALNR-UHFFFAOYSA-N
XLogP1.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 95802385) is 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCN1CCC(O)(c2ccc(F)cc2)CC1)N1CCOCC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is IDMVGAUDOYALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-16-3-1-15(2-4-16)18(23)6-9-20(10-7-18)8-5-17(22)21-11-13-24-14-12-21/h1-4,23H,5-14H2.
What are the key properties of 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 336.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95802385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).