[(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate

C8H13F3N2O2 — CID 153408592

IUPAC[(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCN1CCNC[C@@]1(C)OC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-7(5-12-3-4-13(7)2)15-6(14)8(9,10)11/h12H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyDDDKOKNHJIXJMM-SSDOTTSWSA-N
MW226.20 g/mol
LogP0.34
Rot. Bonds1

About [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate

[(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 153408592) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID153408592
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name[(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCN1CCNC[C@@]1(C)OC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-7(5-12-3-4-13(7)2)15-6(14)8(9,10)11/h12H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyDDDKOKNHJIXJMM-SSDOTTSWSA-N
XLogP0.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate (CID 153408592) is [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate is CN1CCNC[C@@]1(C)OC(=O)C(F)(F)F.
What is the InChIKey of [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is DDDKOKNHJIXJMM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-7(5-12-3-4-13(7)2)15-6(14)8(9,10)11/h12H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate?
[(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 226.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 153408592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).