1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine

C8H15F3N2O — CID 70936734

IUPAC1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine
SMILESCN1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7-14-8(9,10)11/h2-7H2,1H3
InChIKeyGQMAVQKFVGPJOH-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.77
Rot. Bonds3

About 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine

1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine (PubChem CID 70936734) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine
PubChem CID70936734
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine
SMILESCN1CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7-14-8(9,10)11/h2-7H2,1H3
InChIKeyGQMAVQKFVGPJOH-UHFFFAOYSA-N
XLogP0.77
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine (CID 70936734) is 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine is CN1CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine?
The InChIKey is GQMAVQKFVGPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7-14-8(9,10)11/h2-7H2,1H3.
What are the key properties of 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine?
1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine has a molecular weight of 212.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(trifluoromethoxy)ethyl]piperazine is sourced from PubChem (CID 70936734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).