3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one

C15H24N2O3 — CID 82217153

IUPAC3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(C)CC2)n1CCO
InChIInChI=1S/C15H24N2O3/c1-11-3-5-16(6-4-11)10-13-15(20)14(19)9-12(2)17(13)7-8-18/h9,11,18,20H,3-8,10H2,1-2H3
InChIKeyYDXSMOQDUDXKAM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.09
Rot. Bonds4

About 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one

3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82217153) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82217153
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(C)CC2)n1CCO
InChIInChI=1S/C15H24N2O3/c1-11-3-5-16(6-4-11)10-13-15(20)14(19)9-12(2)17(13)7-8-18/h9,11,18,20H,3-8,10H2,1-2H3
InChIKeyYDXSMOQDUDXKAM-UHFFFAOYSA-N
XLogP1.09
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
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-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82217153) is 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCC(C)CC2)n1CCO.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is YDXSMOQDUDXKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-3-5-16(6-4-11)10-13-15(20)14(19)9-12(2)17(13)7-8-18/h9,11,18,20H,3-8,10H2,1-2H3.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 280.37 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-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82217153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).