1,2,4-trimethyl-2-(trifluoromethyl)piperazine

C8H15F3N2 — CID 166534974

IUPAC1,2,4-trimethyl-2-(trifluoromethyl)piperazine
SMILESCN1CCN(C)C(C)(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-7(8(9,10)11)6-12(2)4-5-13(7)3/h4-6H2,1-3H3
InChIKeyNXGBFNANUYYIQL-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.18
Rot. Bonds

About 1,2,4-trimethyl-2-(trifluoromethyl)piperazine

1,2,4-trimethyl-2-(trifluoromethyl)piperazine (PubChem CID 166534974) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1,2,4-trimethyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1,2,4-trimethyl-2-(trifluoromethyl)piperazine
PubChem CID166534974
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name1,2,4-trimethyl-2-(trifluoromethyl)piperazine
SMILESCN1CCN(C)C(C)(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-7(8(9,10)11)6-12(2)4-5-13(7)3/h4-6H2,1-3H3
InChIKeyNXGBFNANUYYIQL-UHFFFAOYSA-N
XLogP1.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-2-(trifluoromethyl)piperazine?
The IUPAC name of 1,2,4-trimethyl-2-(trifluoromethyl)piperazine (CID 166534974) is 1,2,4-trimethyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1,2,4-trimethyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1,2,4-trimethyl-2-(trifluoromethyl)piperazine is CN1CCN(C)C(C)(C(F)(F)F)C1.
What is the InChIKey of 1,2,4-trimethyl-2-(trifluoromethyl)piperazine?
The InChIKey is NXGBFNANUYYIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(8(9,10)11)6-12(2)4-5-13(7)3/h4-6H2,1-3H3.
What are the key properties of 1,2,4-trimethyl-2-(trifluoromethyl)piperazine?
1,2,4-trimethyl-2-(trifluoromethyl)piperazine has a molecular weight of 196.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 166534974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).