3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one

C16H24N2O3 — CID 82217564

IUPAC3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one
SMILESC=CCn1c(CO)cc(=O)c(O)c1CN1CCC(C)CC1
InChIInChI=1S/C16H24N2O3/c1-3-6-18-13(11-19)9-15(20)16(21)14(18)10-17-7-4-12(2)5-8-17/h3,9,12,19,21H,1,4-8,10-11H2,2H3
InChIKeyJMUKDPGWIONDSM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.46
Rot. Bonds5

About 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one

3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one (PubChem CID 82217564) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one
PubChem CID82217564
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one
SMILESC=CCn1c(CO)cc(=O)c(O)c1CN1CCC(C)CC1
InChIInChI=1S/C16H24N2O3/c1-3-6-18-13(11-19)9-15(20)16(21)14(18)10-17-7-4-12(2)5-8-17/h3,9,12,19,21H,1,4-8,10-11H2,2H3
InChIKeyJMUKDPGWIONDSM-UHFFFAOYSA-N
XLogP1.46
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-prop-2-enylpyridin-4-one
CID 82217591
3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217153
1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217363
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217178
2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 94958490
3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217685
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217753
1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217601
1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94959006
3-hydroxy-6-(hydroxymethyl)-1-(pyridin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959072
3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217431

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one (CID 82217564) is 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one is C=CCn1c(CO)cc(=O)c(O)c1CN1CCC(C)CC1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one?
The InChIKey is JMUKDPGWIONDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-6-18-13(11-19)9-15(20)16(21)14(18)10-17-7-4-12(2)5-8-17/h3,9,12,19,21H,1,4-8,10-11H2,2H3.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one?
3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one has a molecular weight of 292.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one is sourced from PubChem (CID 82217564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).