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

C15H25N3O3 — CID 82218115

IUPAC5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
SMILESCCCn1cc(O)c(=O)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C15H25N3O3/c1-2-3-18-12-15(21)14(20)10-13(18)11-17-6-4-16(5-7-17)8-9-19/h10,12,19,21H,2-9,11H2,1H3
InChIKeyCUUHQKDABBPKFN-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.07
Rot. Bonds6

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

5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one (PubChem CID 82218115) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
PubChem CID82218115
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
SMILESCCCn1cc(O)c(=O)cc1CN1CCN(CCO)CC1
InChIInChI=1S/C15H25N3O3/c1-2-3-18-12-15(21)14(20)10-13(18)11-17-6-4-16(5-7-17)8-9-19/h10,12,19,21H,2-9,11H2,1H3
InChIKeyCUUHQKDABBPKFN-UHFFFAOYSA-N
XLogP0.07
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one
CID 94959809
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
CID 94960399
5-hydroxy-1-(1-hydroxybutan-2-yl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82218784
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
CID 82218661
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxy-1-(3-hydroxypropyl)pyridin-4-one
CID 82218017
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
1-(3-ethoxypropyl)-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218677
5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960224

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one?
The IUPAC name of 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one (CID 82218115) is 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one is CCCn1cc(O)c(=O)cc1CN1CCN(CCO)CC1.
What is the InChIKey of 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one?
The InChIKey is CUUHQKDABBPKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-3-18-12-15(21)14(20)10-13(18)11-17-6-4-16(5-7-17)8-9-19/h10,12,19,21H,2-9,11H2,1H3.
What are the key properties of 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one?
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one has a molecular weight of 295.38 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one is sourced from PubChem (CID 82218115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).