1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C16H17F3N2S — CID 765009

IUPAC1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C16H17F3N2S/c17-16(18,19)13-3-1-4-14(11-13)21-8-6-20(7-9-21)12-15-5-2-10-22-15/h1-5,10-11H,6-9,12H2
InChIKeyCLONYBRQIBZCAX-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.09
Rot. Bonds3

About 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 765009) has the molecular formula C16H17F3N2S and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID765009
Molecular FormulaC16H17F3N2S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C16H17F3N2S/c17-16(18,19)13-3-1-4-14(11-13)21-8-6-20(7-9-21)12-15-5-2-10-22-15/h1-5,10-11H,6-9,12H2
InChIKeyCLONYBRQIBZCAX-UHFFFAOYSA-N
XLogP4.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 765009) is 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3cccs3)CC2)c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is CLONYBRQIBZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2S/c17-16(18,19)13-3-1-4-14(11-13)21-8-6-20(7-9-21)12-15-5-2-10-22-15/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 326.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 765009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).