[(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate

C10H17F3N2O2 — CID 140679320

IUPAC[(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCCN1[C@H](C)CNC[C@]1(C)OC(=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-15-7(2)5-14-6-9(15,3)17-8(16)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKeyPKXYUBPHELAKKP-APPZFPTMSA-N
MW254.25 g/mol
LogP1.12
Rot. Bonds2

About [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate

[(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 140679320) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID140679320
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name[(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCCN1[C@H](C)CNC[C@]1(C)OC(=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-15-7(2)5-14-6-9(15,3)17-8(16)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKeyPKXYUBPHELAKKP-APPZFPTMSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate (CID 140679320) is [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate is CCN1[C@H](C)CNC[C@]1(C)OC(=O)C(F)(F)F.
What is the InChIKey of [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is PKXYUBPHELAKKP-APPZFPTMSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-4-15-7(2)5-14-6-9(15,3)17-8(16)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-,9+/m1/s1.
What are the key properties of [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate?
[(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 254.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-1-ethyl-2,6-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140679320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).