1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine

C16H17F3N2S — CID 5224368

IUPAC1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc(C(c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C16H17F3N2S/c17-16(18,19)13-4-1-3-12(11-13)15(14-5-2-10-22-14)21-8-6-20-7-9-21/h1-5,10-11,15,20H,6-9H2
InChIKeySYOINACAPHKGBQ-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.76
Rot. Bonds3

About 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine

1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 5224368) has the molecular formula C16H17F3N2S and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID5224368
Molecular FormulaC16H17F3N2S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc(C(c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C16H17F3N2S/c17-16(18,19)13-4-1-3-12(11-13)15(14-5-2-10-22-14)21-8-6-20-7-9-21/h1-5,10-11,15,20H,6-9H2
InChIKeySYOINACAPHKGBQ-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 5224368) is 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1cccc(C(c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is SYOINACAPHKGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2S/c17-16(18,19)13-4-1-3-12(11-13)15(14-5-2-10-22-14)21-8-6-20-7-9-21/h1-5,10-11,15,20H,6-9H2.
What are the key properties of 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 326.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 5224368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).