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

C14H24Cl2N2O2 — CID 24881320

IUPAC2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
SMILESCCc1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/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;2*1H
InChIKeyVGAOTIFJQFVTDT-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.45
Rot. Bonds4

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

2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride (PubChem CID 24881320) has the molecular formula C14H24Cl2N2O2 and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
PubChem CID24881320
Molecular FormulaC14H24Cl2N2O2
Molecular Weight323.26 g/mol
Exact Mass322.12
IUPAC Name2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride
SMILESCCc1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/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;2*1H
InChIKeyVGAOTIFJQFVTDT-UHFFFAOYSA-N
XLogP2.45
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.45
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;dihydrochloride?
The IUPAC name of 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride (CID 24881320) is 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride is CCc1c(O)c(=O)ccn1CCN1CCCCC1.Cl.Cl.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
The InChIKey is VGAOTIFJQFVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.2ClH/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;2*1H.
What are the key properties of 2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride?
2-ethyl-3-hydroxy-1-(2-piperidin-1-ylethyl)pyridin-4-one;dihydrochloride has a molecular weight of 323.26 g/mol, XLogP of 2.45, 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;dihydrochloride is sourced from PubChem (CID 24881320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).