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

C13H20N2O — CID 79884494

IUPAC2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1CCNCC1
InChIInChI=1S/C13H20N2O/c1-10-7-13(16)8-11(2)15(10)9-12-3-5-14-6-4-12/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyGMYMQWNQXILKOV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.46
Rot. Bonds2

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

2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one (PubChem CID 79884494) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one
PubChem CID79884494
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC1CCNCC1
InChIInChI=1S/C13H20N2O/c1-10-7-13(16)8-11(2)15(10)9-12-3-5-14-6-4-12/h7-8,12,14H,3-6,9H2,1-2H3
InChIKeyGMYMQWNQXILKOV-UHFFFAOYSA-N
XLogP1.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one (CID 79884494) is 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one is Cc1cc(=O)cc(C)n1CC1CCNCC1.
What is the InChIKey of 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one?
The InChIKey is GMYMQWNQXILKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-7-13(16)8-11(2)15(10)9-12-3-5-14-6-4-12/h7-8,12,14H,3-6,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one?
2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one has a molecular weight of 220.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(piperidin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 79884494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).