1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine

C8H15F3N2O — CID 91366465

IUPAC1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine
SMILESCOC(C)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-7(14-2)12-3-5-13(6-4-12)8(9,10)11/h7H,3-6H2,1-2H3
InChIKeySTGSLGSYYMAVNN-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.12
Rot. Bonds2

About 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine

1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine (PubChem CID 91366465) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine
PubChem CID91366465
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine
SMILESCOC(C)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-7(14-2)12-3-5-13(6-4-12)8(9,10)11/h7H,3-6H2,1-2H3
InChIKeySTGSLGSYYMAVNN-UHFFFAOYSA-N
XLogP1.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine (CID 91366465) is 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine is COC(C)N1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine?
The InChIKey is STGSLGSYYMAVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-7(14-2)12-3-5-13(6-4-12)8(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine?
1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine has a molecular weight of 212.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 91366465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).