1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one

C13H19FN2O2 — CID 118534402

IUPAC1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)n1CF
InChIInChI=1S/C13H19FN2O2/c1-10-7-12(17)13(18)11(16(10)9-14)8-15-5-3-2-4-6-15/h7,18H,2-6,8-9H2,1H3
InChIKeyJFFIXJSFRYBMJK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.78
Rot. Bonds3

About 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one

1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 118534402) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID118534402
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)n1CF
InChIInChI=1S/C13H19FN2O2/c1-10-7-12(17)13(18)11(16(10)9-14)8-15-5-3-2-4-6-15/h7,18H,2-6,8-9H2,1H3
InChIKeyJFFIXJSFRYBMJK-UHFFFAOYSA-N
XLogP1.78
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 118534402) is 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCCCC2)n1CF.
What is the InChIKey of 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is JFFIXJSFRYBMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10-7-12(17)13(18)11(16(10)9-14)8-15-5-3-2-4-6-15/h7,18H,2-6,8-9H2,1H3.
What are the key properties of 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 254.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 118534402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).