3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride

C13H22Cl2N2O3 — CID 24881387

IUPAC3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCl.Cl.Cn1c(CO)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C13H20N2O3.2ClH/c1-14-10(9-16)7-12(17)13(18)11(14)8-15-5-3-2-4-6-15;;/h7,16,18H,2-6,8-9H2,1H3;2*1H
InChIKeyQEGKXVUDJXLILE-UHFFFAOYSA-N
MW325.24 g/mol
LogP1.41
Rot. Bonds3

About 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride

3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride (PubChem CID 24881387) has the molecular formula C13H22Cl2N2O3 and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
PubChem CID24881387
Molecular FormulaC13H22Cl2N2O3
Molecular Weight325.24 g/mol
Exact Mass324.10
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCl.Cl.Cn1c(CO)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C13H20N2O3.2ClH/c1-14-10(9-16)7-12(17)13(18)11(14)8-15-5-3-2-4-6-15;;/h7,16,18H,2-6,8-9H2,1H3;2*1H
InChIKeyQEGKXVUDJXLILE-UHFFFAOYSA-N
XLogP1.41
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride (CID 24881387) is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride is Cl.Cl.Cn1c(CO)cc(=O)c(O)c1CN1CCCCC1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The InChIKey is QEGKXVUDJXLILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.2ClH/c1-14-10(9-16)7-12(17)13(18)11(14)8-15-5-3-2-4-6-15;;/h7,16,18H,2-6,8-9H2,1H3;2*1H.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride has a molecular weight of 325.24 g/mol, XLogP of 1.41, 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-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride is sourced from PubChem (CID 24881387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).