1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine

C16H17F3N2OS — CID 171177341

IUPAC1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1cccc([C@@H](c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)22-14-3-1-2-12(10-14)15(13-4-9-23-11-13)21-7-5-20-6-8-21/h1-4,9-11,15,20H,5-8H2/t15-/m0/s1
InChIKeyPLINLUCYJJHDFZ-HNNXBMFYSA-N
MW342.39 g/mol
LogP3.64
Rot. Bonds4

About 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine

1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171177341) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID171177341
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)(F)Oc1cccc([C@@H](c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)22-14-3-1-2-12(10-14)15(13-4-9-23-11-13)21-7-5-20-6-8-21/h1-4,9-11,15,20H,5-8H2/t15-/m0/s1
InChIKeyPLINLUCYJJHDFZ-HNNXBMFYSA-N
XLogP3.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180039
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171178155
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179883
1-[(3-phenoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3848563
1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180732
1-[(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171293140
1-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171180508
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
2-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104754
1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171176572

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine (CID 171177341) is 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine is FC(F)(F)Oc1cccc([C@@H](c2ccsc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is PLINLUCYJJHDFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c17-16(18,19)22-14-3-1-2-12(10-14)15(13-4-9-23-11-13)21-7-5-20-6-8-21/h1-4,9-11,15,20H,5-8H2/t15-/m0/s1.
What are the key properties of 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 342.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171177341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).