2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one

C14H22N2O2 — CID 10621600

IUPAC2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCN1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-2-12-14(18)13(17)6-9-16(12)11-10-15-7-4-3-5-8-15/h6,9,18H,2-5,7-8,10-11H2,1H3
InChIKeyKPVRELTVHZUNCB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.60
Rot. Bonds4

About 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one

2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one (PubChem CID 10621600) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one
PubChem CID10621600
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCN1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-2-12-14(18)13(17)6-9-16(12)11-10-15-7-4-3-5-8-15/h6,9,18H,2-5,7-8,10-11H2,1H3
InChIKeyKPVRELTVHZUNCB-UHFFFAOYSA-N
XLogP1.60
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one (CID 10621600) is 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one is CCc1c(O)c(=O)ccn1CCN1CCCCC1.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one?
The InChIKey is KPVRELTVHZUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-12-14(18)13(17)6-9-16(12)11-10-15-7-4-3-5-8-15/h6,9,18H,2-5,7-8,10-11H2,1H3.
What are the key properties of 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one?
2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one has a molecular weight of 250.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one is sourced from PubChem (CID 10621600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).