1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine

C9H17F3N2O — CID 129061189

IUPAC1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCOCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-15-7-6-13-2-4-14(5-3-13)8-9(10,11)12/h2-8H2,1H3
InChIKeyOLJIDLGSJWGTFE-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.81
Rot. Bonds4

About 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 129061189) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID129061189
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCOCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-15-7-6-13-2-4-14(5-3-13)8-9(10,11)12/h2-8H2,1H3
InChIKeyOLJIDLGSJWGTFE-UHFFFAOYSA-N
XLogP0.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 129061189) is 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine is COCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is OLJIDLGSJWGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-15-7-6-13-2-4-14(5-3-13)8-9(10,11)12/h2-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 226.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 129061189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).