[1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate

C11H17F3N2O3 — CID 145440284

IUPAC[1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCC(C)(C)C(=O)N1CCNCC1OC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-10(2,3)8(17)16-5-4-15-6-7(16)19-9(18)11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyYDHTVLQRMDGBDZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.90
Rot. Bonds1

About [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate

[1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 145440284) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID145440284
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name[1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCC(C)(C)C(=O)N1CCNCC1OC(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-10(2,3)8(17)16-5-4-15-6-7(16)19-9(18)11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeyYDHTVLQRMDGBDZ-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate (CID 145440284) is [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate is CC(C)(C)C(=O)N1CCNCC1OC(=O)C(F)(F)F.
What is the InChIKey of [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is YDHTVLQRMDGBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(2,3)8(17)16-5-4-15-6-7(16)19-9(18)11(12,13)14/h7,15H,4-6H2,1-3H3.
What are the key properties of [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
[1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 282.26 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropanoyl)piperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 145440284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).