5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one

C14H23N3O4 — CID 82217995

IUPAC5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
SMILESO=c1cc(CN2CCN(CCO)CC2)n(CCO)cc1O
InChIInChI=1S/C14H23N3O4/c18-7-5-15-1-3-16(4-2-15)10-12-9-13(20)14(21)11-17(12)6-8-19/h9,11,18-19,21H,1-8,10H2
InChIKeyDJIBHCVLWJITFK-UHFFFAOYSA-N
MW297.36 g/mol
LogP-1.34
Rot. Bonds6

About 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one

5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one (PubChem CID 82217995) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
PubChem CID82217995
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
SMILESO=c1cc(CN2CCN(CCO)CC2)n(CCO)cc1O
InChIInChI=1S/C14H23N3O4/c18-7-5-15-1-3-16(4-2-15)10-12-9-13(20)14(21)11-17(12)6-8-19/h9,11,18-19,21H,1-8,10H2
InChIKeyDJIBHCVLWJITFK-UHFFFAOYSA-N
XLogP-1.34
TPSA89.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The IUPAC name of 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one (CID 82217995) is 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one is O=c1cc(CN2CCN(CCO)CC2)n(CCO)cc1O.
What is the InChIKey of 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
The InChIKey is DJIBHCVLWJITFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c18-7-5-15-1-3-16(4-2-15)10-12-9-13(20)14(21)11-17(12)6-8-19/h9,11,18-19,21H,1-8,10H2.
What are the key properties of 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one?
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one has a molecular weight of 297.36 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one is sourced from PubChem (CID 82217995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).