1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone

C12H14F3N3O — CID 47084510

IUPAC1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14F3N3O/c1-9(19)17-5-7-18(8-6-17)11-4-2-3-10(16-11)12(13,14)15/h2-4H,5-8H2,1H3
InChIKeyAJJGMWWSCCHNMC-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.77
Rot. Bonds1

About 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 47084510) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID47084510
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14F3N3O/c1-9(19)17-5-7-18(8-6-17)11-4-2-3-10(16-11)12(13,14)15/h2-4H,5-8H2,1H3
InChIKeyAJJGMWWSCCHNMC-UHFFFAOYSA-N
XLogP1.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 47084510) is 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is AJJGMWWSCCHNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-9(19)17-5-7-18(8-6-17)11-4-2-3-10(16-11)12(13,14)15/h2-4H,5-8H2,1H3.
What are the key properties of 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 273.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 47084510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).