1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one

C13H20N2O2 — CID 84699533

IUPAC1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one
SMILESCc1c(OCC2CCNCC2)c(=O)ccn1C
InChIInChI=1S/C13H20N2O2/c1-10-13(12(16)5-8-15(10)2)17-9-11-3-6-14-7-4-11/h5,8,11,14H,3-4,6-7,9H2,1-2H3
InChIKeyJZZGORUJYLLRCT-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.07
Rot. Bonds3

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

1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one (PubChem CID 84699533) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one
PubChem CID84699533
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one
SMILESCc1c(OCC2CCNCC2)c(=O)ccn1C
InChIInChI=1S/C13H20N2O2/c1-10-13(12(16)5-8-15(10)2)17-9-11-3-6-14-7-4-11/h5,8,11,14H,3-4,6-7,9H2,1-2H3
InChIKeyJZZGORUJYLLRCT-UHFFFAOYSA-N
XLogP1.07
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one?
The IUPAC name of 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one (CID 84699533) is 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one is Cc1c(OCC2CCNCC2)c(=O)ccn1C.
What is the InChIKey of 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one?
The InChIKey is JZZGORUJYLLRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-13(12(16)5-8-15(10)2)17-9-11-3-6-14-7-4-11/h5,8,11,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one?
1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84699533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).