1-methyl-2-(trifluoromethoxy)piperazine

C6H11F3N2O — CID 123177611

IUPAC1-methyl-2-(trifluoromethoxy)piperazine
SMILESCN1CCNCC1OC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-11-3-2-10-4-5(11)12-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyCJGYUKQFJGXKML-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.38
Rot. Bonds1

About 1-methyl-2-(trifluoromethoxy)piperazine

1-methyl-2-(trifluoromethoxy)piperazine (PubChem CID 123177611) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethoxy)piperazine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethoxy)piperazine
PubChem CID123177611
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name1-methyl-2-(trifluoromethoxy)piperazine
SMILESCN1CCNCC1OC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-11-3-2-10-4-5(11)12-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyCJGYUKQFJGXKML-UHFFFAOYSA-N
XLogP0.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethoxy)piperazine?
The IUPAC name of 1-methyl-2-(trifluoromethoxy)piperazine (CID 123177611) is 1-methyl-2-(trifluoromethoxy)piperazine.
What is the SMILES notation for 1-methyl-2-(trifluoromethoxy)piperazine?
The canonical SMILES for 1-methyl-2-(trifluoromethoxy)piperazine is CN1CCNCC1OC(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethoxy)piperazine?
The InChIKey is CJGYUKQFJGXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-11-3-2-10-4-5(11)12-6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethoxy)piperazine?
1-methyl-2-(trifluoromethoxy)piperazine has a molecular weight of 184.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethoxy)piperazine is sourced from PubChem (CID 123177611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).