3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C13H23FN2O3 — CID 154757827

IUPAC3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCC(F)(CO)C1)N1CCOCC1
InChIInChI=1S/C13H23FN2O3/c14-13(11-17)3-1-4-15(10-13)5-2-12(18)16-6-8-19-9-7-16/h17H,1-11H2
InChIKeyYHVKPWJPILKPQN-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.03
Rot. Bonds4

About 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 154757827) has the molecular formula C13H23FN2O3 and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID154757827
Molecular FormulaC13H23FN2O3
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCCC(F)(CO)C1)N1CCOCC1
InChIInChI=1S/C13H23FN2O3/c14-13(11-17)3-1-4-15(10-13)5-2-12(18)16-6-8-19-9-7-16/h17H,1-11H2
InChIKeyYHVKPWJPILKPQN-UHFFFAOYSA-N
XLogP0.03
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 154757827) is 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCN1CCCC(F)(CO)C1)N1CCOCC1.
What is the InChIKey of 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YHVKPWJPILKPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3/c14-13(11-17)3-1-4-15(10-13)5-2-12(18)16-6-8-19-9-7-16/h17H,1-11H2.
What are the key properties of 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 274.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 154757827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).