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

C14H22N2O3 — CID 82217753

IUPAC3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCC1CCCN(Cc2c(O)c(=O)cc(CO)n2C)C1
InChIInChI=1S/C14H22N2O3/c1-10-4-3-5-16(7-10)8-12-14(19)13(18)6-11(9-17)15(12)2/h6,10,17,19H,3-5,7-9H2,1-2H3
InChIKeyXPRITSYKRYJEJH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.82
Rot. Bonds3

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

3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82217753) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82217753
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCC1CCCN(Cc2c(O)c(=O)cc(CO)n2C)C1
InChIInChI=1S/C14H22N2O3/c1-10-4-3-5-16(7-10)8-12-14(19)13(18)6-11(9-17)15(12)2/h6,10,17,19H,3-5,7-9H2,1-2H3
InChIKeyXPRITSYKRYJEJH-UHFFFAOYSA-N
XLogP0.82
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218887
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-3-hydroxy-1-methyl-6-(piperidin-1-ylmethyl)pyridin-4-one
CID 96557474
3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one
CID 82217564
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-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
CID 82218843
1-cyclopropyl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217889
3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217153
5,7-dihydroxy-6,8-bis[(3-methylpiperidin-1-yl)methyl]-2-phenylchromen-4-one
CID 3637360
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
6-hydroxy-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 1367404

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82217753) is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one is CC1CCCN(Cc2c(O)c(=O)cc(CO)n2C)C1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is XPRITSYKRYJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-4-3-5-16(7-10)8-12-14(19)13(18)6-11(9-17)15(12)2/h6,10,17,19H,3-5,7-9H2,1-2H3.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one?
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 266.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82217753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).