2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one

C12H18N2O2 — CID 115324332

IUPAC2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1CNCCO1
InChIInChI=1S/C12H18N2O2/c1-9-5-11(15)6-10(2)14(9)8-12-7-13-3-4-16-12/h5-6,12-13H,3-4,7-8H2,1-2H3
InChIKeyDMXPXVLTHVPXDI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.45
Rot. Bonds2

About 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one

2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one (PubChem CID 115324332) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one
PubChem CID115324332
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1CNCCO1
InChIInChI=1S/C12H18N2O2/c1-9-5-11(15)6-10(2)14(9)8-12-7-13-3-4-16-12/h5-6,12-13H,3-4,7-8H2,1-2H3
InChIKeyDMXPXVLTHVPXDI-UHFFFAOYSA-N
XLogP0.45
TPSA43.26 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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one?
The IUPAC name of 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one (CID 115324332) is 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one is Cc1cc(=O)cc(C)n1CC1CNCCO1.
What is the InChIKey of 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one?
The InChIKey is DMXPXVLTHVPXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-11(15)6-10(2)14(9)8-12-7-13-3-4-16-12/h5-6,12-13H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one?
2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(morpholin-2-ylmethyl)pyridin-4-one is sourced from PubChem (CID 115324332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).