1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one

C14H22N2O2 — CID 82217524

IUPAC1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCCn1c(C)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-16-11(2)9-13(17)14(18)12(16)10-15-7-5-4-6-8-15/h9,18H,3-8,10H2,1-2H3
InChIKeyNIRZWXXRUYLFGP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds3

About 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one

1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217524) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID82217524
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCCn1c(C)cc(=O)c(O)c1CN1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-16-11(2)9-13(17)14(18)12(16)10-15-7-5-4-6-8-15/h9,18H,3-8,10H2,1-2H3
InChIKeyNIRZWXXRUYLFGP-UHFFFAOYSA-N
XLogP1.87
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 82217524) is 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is CCn1c(C)cc(=O)c(O)c1CN1CCCCC1.
What is the InChIKey of 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is NIRZWXXRUYLFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16-11(2)9-13(17)14(18)12(16)10-15-7-5-4-6-8-15/h9,18H,3-8,10H2,1-2H3.
What are the key properties of 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one?
1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 250.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).