1-(2,2,2-Trifluoroethyl)piperazine

Name: 1-(2,2,2-Trifluoroethyl)piperazine
Brand: ChemScene
Availability: InStock
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CAS No. 13349-90-1
Cat. No. CS-0099713
Purity≥98%
MDL No.MFCD08444233

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(2,2,2-Trifluoroethyl)piperazine|CS-0099713

Structure of 13349-90-1

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General Information

CAS No. 13349-90-1
Cat. No. CS-0099713
Purity ≥98%
MDL No. MFCD08444233
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₁₁F₃N₂
Molecular Weight 168.16
Synonym(s) (2,2,2-trifluoroethyl)-piperazine
SMILES FC(F)(F)CN1CCNCC1

Description

This trifluoromethylated piperazine integrates a highly electron-deficient 2,2,2-trifluoroethyl moiety, enhancing metabolic stability and lipophilicity. It serves as a key scaffold in medicinal chemistry for modulating bioavailability and membrane permeability in CNS-targeted compounds.

Application

1-(2,2,2-Trifluoroethyl)piperazine serves as a versatile building block in medicinal chemistry, enabling the introduction of lipophilic, electron-withdrawing trifluoromethyl motifs into bioactive molecules. Its stable piperazine core facilitates diverse functionalization and exhibits favorable solubility and metabolic stability in drug discovery applications. The trifluoroethyl group enhances membrane permeability and modulates pKa, supporting its use in optimizing pharmacokinetic profiles.

Synthesis

Route1
- 629625-96-3
- ~%
- In-stock
  
  13349-90-1
References
- EP1508570 A1, ; Page/Page column 135.136 ;
Route2
- In-stock
  
  13349-91-2
- ~%
- In-stock
  
  13349-90-1
References
- WO2004/41829 A1, ; Page 75 ; WO 2004/041829 A1

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS05
Signal Word : Danger	UN#: 1993
Class : 3	Packing Group : Ⅲ
Hazard Statements : H226-H302-H318
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

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Computational Chemistry Data

TPSA 15.27
LogP 0.4539
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Key Words

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1-(2,2,2-Trifluoroethyl)piperazine

CAS No. 13349-90-1

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