1-methyl-4-(trifluoromethyl)piperazine

C6H11F3N2 — CID 59244644

IUPAC1-methyl-4-(trifluoromethyl)piperazine
SMILESCN1CCN(C(F)(F)F)CC1
InChIInChI=1S/C6H11F3N2/c1-10-2-4-11(5-3-10)6(7,8)9/h2-5H2,1H3
InChIKeyRYKQROXPUNCXHO-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.75
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)piperazine

1-methyl-4-(trifluoromethyl)piperazine (PubChem CID 59244644) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)piperazine
PubChem CID59244644
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name1-methyl-4-(trifluoromethyl)piperazine
SMILESCN1CCN(C(F)(F)F)CC1
InChIInChI=1S/C6H11F3N2/c1-10-2-4-11(5-3-10)6(7,8)9/h2-5H2,1H3
InChIKeyRYKQROXPUNCXHO-UHFFFAOYSA-N
XLogP0.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
1-Methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)piperazine (CID 59244644) is 1-methyl-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)piperazine is CN1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)piperazine?
The InChIKey is RYKQROXPUNCXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-10-2-4-11(5-3-10)6(7,8)9/h2-5H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)piperazine?
1-methyl-4-(trifluoromethyl)piperazine has a molecular weight of 168.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 59244644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).