3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride

C12H20Cl2N2O3 — CID 24881385

IUPAC3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCc1cc(=O)c(O)c(CN2CCOCC2)n1C.Cl.Cl
InChIInChI=1S/C12H18N2O3.2ClH/c1-9-7-11(15)12(16)10(13(9)2)8-14-3-5-17-6-4-14;;/h7,16H,3-6,8H2,1-2H3;2*1H
InChIKeyIIAICLKTENCYNO-UHFFFAOYSA-N
MW311.21 g/mol
LogP1.08
Rot. Bonds2

About 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride

3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride (PubChem CID 24881385) has the molecular formula C12H20Cl2N2O3 and a molecular weight of 311.21 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
PubChem CID24881385
Molecular FormulaC12H20Cl2N2O3
Molecular Weight311.21 g/mol
Exact Mass310.09
IUPAC Name3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
SMILESCc1cc(=O)c(O)c(CN2CCOCC2)n1C.Cl.Cl
InChIInChI=1S/C12H18N2O3.2ClH/c1-9-7-11(15)12(16)10(13(9)2)8-14-3-5-17-6-4-14;;/h7,16H,3-6,8H2,1-2H3;2*1H
InChIKeyIIAICLKTENCYNO-UHFFFAOYSA-N
XLogP1.08
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride (CID 24881385) is 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride is Cc1cc(=O)c(O)c(CN2CCOCC2)n1C.Cl.Cl.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride?
The InChIKey is IIAICLKTENCYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.2ClH/c1-9-7-11(15)12(16)10(13(9)2)8-14-3-5-17-6-4-14;;/h7,16H,3-6,8H2,1-2H3;2*1H.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride?
3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride has a molecular weight of 311.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride is sourced from PubChem (CID 24881385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).