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

C13H20N2O3 — CID 10933991

IUPAC3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCn1c(CO)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C13H20N2O3/c1-14-10(9-16)7-12(17)13(18)11(14)8-15-5-3-2-4-6-15/h7,16,18H,2-6,8-9H2,1H3
InChIKeyKHHPJVTZQUBLTH-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.57
Rot. Bonds3

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

3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 10933991) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID10933991
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCn1c(CO)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C13H20N2O3/c1-14-10(9-16)7-12(17)13(18)11(14)8-15-5-3-2-4-6-15/h7,16,18H,2-6,8-9H2,1H3
InChIKeyKHHPJVTZQUBLTH-UHFFFAOYSA-N
XLogP0.57
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 10933991) is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is Cn1c(CO)cc(=O)c(O)c1CN1CCCCC1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is KHHPJVTZQUBLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-10(9-16)7-12(17)13(18)11(14)8-15-5-3-2-4-6-15/h7,16,18H,2-6,8-9H2,1H3.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 252.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 10933991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).