1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone

C13H17F3N4O2 — CID 118253022

IUPAC1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H17F3N4O2/c1-9(21)19-4-6-20(7-5-19)11-3-2-10(17)12(18-11)22-8-13(14,15)16/h2-3H,4-8,17H2,1H3
InChIKeyGKXYJLCORVJJGU-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.27
Rot. Bonds3

About 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 118253022) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID118253022
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H17F3N4O2/c1-9(21)19-4-6-20(7-5-19)11-3-2-10(17)12(18-11)22-8-13(14,15)16/h2-3H,4-8,17H2,1H3
InChIKeyGKXYJLCORVJJGU-UHFFFAOYSA-N
XLogP1.27
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone (CID 118253022) is 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is GKXYJLCORVJJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-9(21)19-4-6-20(7-5-19)11-3-2-10(17)12(18-11)22-8-13(14,15)16/h2-3H,4-8,17H2,1H3.
What are the key properties of 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 318.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 118253022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).