1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one

C12H18N2O2 — CID 84687736

IUPAC1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one
SMILESCn1ccc(=O)c(OCC2CCCCN2)c1
InChIInChI=1S/C12H18N2O2/c1-14-7-5-11(15)12(8-14)16-9-10-4-2-3-6-13-10/h5,7-8,10,13H,2-4,6,9H2,1H3
InChIKeyNGKBRXRLQZGSBJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.91
Rot. Bonds3

About 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one

1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one (PubChem CID 84687736) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one
PubChem CID84687736
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one
SMILESCn1ccc(=O)c(OCC2CCCCN2)c1
InChIInChI=1S/C12H18N2O2/c1-14-7-5-11(15)12(8-14)16-9-10-4-2-3-6-13-10/h5,7-8,10,13H,2-4,6,9H2,1H3
InChIKeyNGKBRXRLQZGSBJ-UHFFFAOYSA-N
XLogP0.91
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064669
1-Methyl-3-piperidin-4-yloxypyridin-4-one
CID 84676151
1-Methyl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
CID 84676155
3-(piperidin-2-ylmethoxy)-1H-pyridin-4-one
CID 84676158
3-(Piperidin-2-ylmethoxy)pyran-4-one
CID 84676765
2-methyl-3-(piperidin-2-ylmethoxy)-1H-pyridin-4-one
CID 84687735
2-Methyl-3-(piperidin-2-ylmethoxy)pyran-4-one
CID 84688339
3-Piperidin-4-yloxy-1-propan-2-ylpyridin-4-one
CID 84699528
1-Propan-2-yl-3-(pyrrolidin-2-ylmethoxy)pyridin-4-one
CID 84699529
1,2-Dimethyl-3-(piperidin-2-ylmethoxy)pyridin-4-one
CID 84699531

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one?
The IUPAC name of 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one (CID 84687736) is 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one is Cn1ccc(=O)c(OCC2CCCCN2)c1.
What is the InChIKey of 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one?
The InChIKey is NGKBRXRLQZGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-7-5-11(15)12(8-14)16-9-10-4-2-3-6-13-10/h5,7-8,10,13H,2-4,6,9H2,1H3.
What are the key properties of 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one?
1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84687736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).