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

C7H13F3N2 — CID 23236212

IUPAC1-methyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2/c1-11-2-4-12(5-3-11)6-7(8,9)10/h2-6H2,1H3
InChIKeyQKKJCMRCGNAZNM-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.80
Rot. Bonds1

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

1-methyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 23236212) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-methyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID23236212
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name1-methyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2/c1-11-2-4-12(5-3-11)6-7(8,9)10/h2-6H2,1H3
InChIKeyQKKJCMRCGNAZNM-UHFFFAOYSA-N
XLogP0.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethylpiperazine
CID 7818
1-Methylpiperazin-4-ide
CID 141792419
1-(2-Fluoroethyl)-1,4-dimethylpiperazin-1-ium
CID 12138844
2,2,3,3,5,5,6,6-Octafluoro-1,4-dimethylpiperazine
CID 19025989
1-Propan-2-yl-4-(trifluoromethyl)piperazine
CID 20283038
1-(2-Fluoroethyl)-4-methylpiperazine
CID 20649672
Fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine
CID 54384968
CID 57541029
CID 57541029
CID 57541030
CID 57541030
1-Methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 57639720
4-Ethyl-1-methyl-1-(1,1,2,2-tetrafluoroethyl)piperazin-1-ium
CID 57967219
1,4-Diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine
CID 58716088

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-methyl-4-(2,2,2-trifluoroethyl)piperazine (CID 23236212) is 1-methyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-methyl-4-(2,2,2-trifluoroethyl)piperazine is CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is QKKJCMRCGNAZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-11-2-4-12(5-3-11)6-7(8,9)10/h2-6H2,1H3.
What are the key properties of 1-methyl-4-(2,2,2-trifluoroethyl)piperazine?
1-methyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 182.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 23236212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).