5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride

C12H20Cl2N2O2 — CID 24881390

IUPAC5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCl.Cl.Cn1cc(O)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C12H18N2O2.2ClH/c1-13-9-12(16)11(15)7-10(13)8-14-5-3-2-4-6-14;;/h7,9,16H,2-6,8H2,1H3;2*1H
InChIKeyLFVYQKGITLTNRL-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.92
Rot. Bonds2

About 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride

5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride (PubChem CID 24881390) has the molecular formula C12H20Cl2N2O2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
PubChem CID24881390
Molecular FormulaC12H20Cl2N2O2
Molecular Weight295.21 g/mol
Exact Mass294.09
IUPAC Name5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCl.Cl.Cn1cc(O)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C12H18N2O2.2ClH/c1-13-9-12(16)11(15)7-10(13)8-14-5-3-2-4-6-14;;/h7,9,16H,2-6,8H2,1H3;2*1H
InChIKeyLFVYQKGITLTNRL-UHFFFAOYSA-N
XLogP1.92
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The IUPAC name of 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride (CID 24881390) is 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride is Cl.Cl.Cn1cc(O)c(=O)cc1CN1CCCCC1.
What is the InChIKey of 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
The InChIKey is LFVYQKGITLTNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.2ClH/c1-13-9-12(16)11(15)7-10(13)8-14-5-3-2-4-6-14;;/h7,9,16H,2-6,8H2,1H3;2*1H.
What are the key properties of 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride?
5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride is sourced from PubChem (CID 24881390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).