3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one

C13H20N2O2 — CID 24881323

IUPAC3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)n1C
InChIInChI=1S/C13H20N2O2/c1-10-8-12(16)13(17)11(14(10)2)9-15-6-4-3-5-7-15/h8,17H,3-7,9H2,1-2H3
InChIKeyRLHTUBQCMAHXES-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.39
Rot. Bonds2

About 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one

3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 24881323) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID24881323
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)n1C
InChIInChI=1S/C13H20N2O2/c1-10-8-12(16)13(17)11(14(10)2)9-15-6-4-3-5-7-15/h8,17H,3-7,9H2,1-2H3
InChIKeyRLHTUBQCMAHXES-UHFFFAOYSA-N
XLogP1.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 24881323) is 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCCCC2)n1C.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is RLHTUBQCMAHXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-12(16)13(17)11(14(10)2)9-15-6-4-3-5-7-15/h8,17H,3-7,9H2,1-2H3.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 24881323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).