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

C12H18N2O2 — CID 24881391

IUPAC5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCn1cc(O)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C12H18N2O2/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
InChIKeyCMBCCYLGORXTTF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.08
Rot. Bonds2

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

5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 24881391) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID24881391
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCn1cc(O)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C12H18N2O2/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
InChIKeyCMBCCYLGORXTTF-UHFFFAOYSA-N
XLogP1.08
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.08
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?
The IUPAC name of 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 24881391) is 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is Cn1cc(O)c(=O)cc1CN1CCCCC1.
What is the InChIKey of 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is CMBCCYLGORXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/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.
What are the key properties of 5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.08, 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 is sourced from PubChem (CID 24881391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).