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

C7H13F3N2 — CID 89212727

IUPAC1,4-dimethyl-2-(trifluoromethyl)piperazine
SMILESCN1CCN(C)C(C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-11-3-4-12(2)6(5-11)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyNZUWBZHEVDRUAR-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.79
Rot. Bonds

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

1,4-dimethyl-2-(trifluoromethyl)piperazine (PubChem CID 89212727) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1,4-dimethyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1,4-dimethyl-2-(trifluoromethyl)piperazine
PubChem CID89212727
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name1,4-dimethyl-2-(trifluoromethyl)piperazine
SMILESCN1CCN(C)C(C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-11-3-4-12(2)6(5-11)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyNZUWBZHEVDRUAR-UHFFFAOYSA-N
XLogP0.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(trifluoromethyl)piperazine?
The IUPAC name of 1,4-dimethyl-2-(trifluoromethyl)piperazine (CID 89212727) is 1,4-dimethyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1,4-dimethyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1,4-dimethyl-2-(trifluoromethyl)piperazine is CN1CCN(C)C(C(F)(F)F)C1.
What is the InChIKey of 1,4-dimethyl-2-(trifluoromethyl)piperazine?
The InChIKey is NZUWBZHEVDRUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-11-3-4-12(2)6(5-11)7(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-2-(trifluoromethyl)piperazine?
1,4-dimethyl-2-(trifluoromethyl)piperazine has a molecular weight of 182.19 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 89212727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).