3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one

C14H22N2O3 — CID 24863345

IUPAC3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one
SMILESCC(O)c1c(O)c(=O)ccn1CCN1CCCCC1
InChIInChI=1S/C14H22N2O3/c1-11(17)13-14(19)12(18)5-8-16(13)10-9-15-6-3-2-4-7-15/h5,8,11,17,19H,2-4,6-7,9-10H2,1H3
InChIKeyFXVFLIYNXZYJKJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.09
Rot. Bonds4

About 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one

3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one (PubChem CID 24863345) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one
PubChem CID24863345
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one
SMILESCC(O)c1c(O)c(=O)ccn1CCN1CCCCC1
InChIInChI=1S/C14H22N2O3/c1-11(17)13-14(19)12(18)5-8-16(13)10-9-15-6-3-2-4-7-15/h5,8,11,17,19H,2-4,6-7,9-10H2,1H3
InChIKeyFXVFLIYNXZYJKJ-UHFFFAOYSA-N
XLogP1.09
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one (CID 24863345) is 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one is CC(O)c1c(O)c(=O)ccn1CCN1CCCCC1.
What is the InChIKey of 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The InChIKey is FXVFLIYNXZYJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(17)13-14(19)12(18)5-8-16(13)10-9-15-6-3-2-4-7-15/h5,8,11,17,19H,2-4,6-7,9-10H2,1H3.
What are the key properties of 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one?
3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one has a molecular weight of 266.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1-hydroxyethyl)-1-(2-piperidin-1-ylethyl)pyridin-4-one is sourced from PubChem (CID 24863345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).