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

C17H28N2O2 — CID 82217363

IUPAC1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCCCCn1c(C)cc(=O)c(O)c1CN1CCC(C)CC1
InChIInChI=1S/C17H28N2O2/c1-4-5-8-19-14(3)11-16(20)17(21)15(19)12-18-9-6-13(2)7-10-18/h11,13,21H,4-10,12H2,1-3H3
InChIKeyXXHYFINBMOGPMG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.89
Rot. Bonds5

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

1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82217363) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82217363
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCCCCn1c(C)cc(=O)c(O)c1CN1CCC(C)CC1
InChIInChI=1S/C17H28N2O2/c1-4-5-8-19-14(3)11-16(20)17(21)15(19)12-18-9-6-13(2)7-10-18/h11,13,21H,4-10,12H2,1-3H3
InChIKeyXXHYFINBMOGPMG-UHFFFAOYSA-N
XLogP2.89
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217153
1-cyclopentyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217601
1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94959200
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one
CID 82217564
3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94959152
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
CID 82217360
2-(azepan-1-ylmethyl)-3-hydroxy-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217415
2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 94958490
1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217692
1-[4-(dimethylamino)butyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217833

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82217363) is 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one is CCCCn1c(C)cc(=O)c(O)c1CN1CCC(C)CC1.
What is the InChIKey of 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is XXHYFINBMOGPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-8-19-14(3)11-16(20)17(21)15(19)12-18-9-6-13(2)7-10-18/h11,13,21H,4-10,12H2,1-3H3.
What are the key properties of 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one?
1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 292.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82217363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).