1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

C16H18ClF3N2S — CID 171179883

IUPAC1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@H](c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C16H17F3N2S.ClH/c17-16(18,19)14-3-1-2-12(10-14)15(13-4-9-22-11-13)21-7-5-20-6-8-21;/h1-4,9-11,15,20H,5-8H2;1H/t15-;/m1./s1
InChIKeyJLEGYDBCCVCXAA-XFULWGLBSA-N
MW362.85 g/mol
LogP4.18
Rot. Bonds3

About 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride

1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171179883) has the molecular formula C16H18ClF3N2S and a molecular weight of 362.85 g/mol. Its IUPAC name is 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
PubChem CID171179883
Molecular FormulaC16H18ClF3N2S
Molecular Weight362.85 g/mol
Exact Mass362.08
IUPAC Name1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@H](c2ccsc2)N2CCNCC2)c1
InChIInChI=1S/C16H17F3N2S.ClH/c17-16(18,19)14-3-1-2-12(10-14)15(13-4-9-22-11-13)21-7-5-20-6-8-21;/h1-4,9-11,15,20H,5-8H2;1H/t15-;/m1./s1
InChIKeyJLEGYDBCCVCXAA-XFULWGLBSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171177949
1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171177341
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 4013561
1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3259924
1-[(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171180508
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
2-fluoro-4-[(R)-piperazin-1-yl(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171178362
1-[(S)-(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171175913
1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180039
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-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride (CID 171179883) is 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)c1cccc([C@H](c2ccsc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is JLEGYDBCCVCXAA-XFULWGLBSA-N. The full InChI is InChI=1S/C16H17F3N2S.ClH/c17-16(18,19)14-3-1-2-12(10-14)15(13-4-9-22-11-13)21-7-5-20-6-8-21;/h1-4,9-11,15,20H,5-8H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 362.85 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171179883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).