4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one

C11H15FN2O — CID 90038622

IUPAC4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESO=c1cc(F)ccn1CC1CCNCC1
InChIInChI=1S/C11H15FN2O/c12-10-3-6-14(11(15)7-10)8-9-1-4-13-5-2-9/h3,6-7,9,13H,1-2,4-5,8H2
InChIKeyWAWNWJACIPXTAK-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.99
Rot. Bonds2

About 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one

4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one (PubChem CID 90038622) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
PubChem CID90038622
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESO=c1cc(F)ccn1CC1CCNCC1
InChIInChI=1S/C11H15FN2O/c12-10-3-6-14(11(15)7-10)8-9-1-4-13-5-2-9/h3,6-7,9,13H,1-2,4-5,8H2
InChIKeyWAWNWJACIPXTAK-UHFFFAOYSA-N
XLogP0.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one (CID 90038622) is 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one is O=c1cc(F)ccn1CC1CCNCC1.
What is the InChIKey of 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one?
The InChIKey is WAWNWJACIPXTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-10-3-6-14(11(15)7-10)8-9-1-4-13-5-2-9/h3,6-7,9,13H,1-2,4-5,8H2.
What are the key properties of 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one?
4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one has a molecular weight of 210.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 90038622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).