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

C15H24N2O3 — CID 82217212

IUPAC3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)n1CCCO
InChIInChI=1S/C15H24N2O3/c1-12-10-14(19)15(20)13(17(12)8-5-9-18)11-16-6-3-2-4-7-16/h10,18,20H,2-9,11H2,1H3
InChIKeyOXXZAKCFMNXSOF-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.23
Rot. Bonds5

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

3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217212) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID82217212
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)n1CCCO
InChIInChI=1S/C15H24N2O3/c1-12-10-14(19)15(20)13(17(12)8-5-9-18)11-16-6-3-2-4-7-16/h10,18,20H,2-9,11H2,1H3
InChIKeyOXXZAKCFMNXSOF-UHFFFAOYSA-N
XLogP1.23
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 82217212) is 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCCCC2)n1CCCO.
What is the InChIKey of 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is OXXZAKCFMNXSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12-10-14(19)15(20)13(17(12)8-5-9-18)11-16-6-3-2-4-7-16/h10,18,20H,2-9,11H2,1H3.
What are the key properties of 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 280.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-hydroxypropyl)-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).