1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

C16H18ClF3N2OS — CID 171180039

IUPAC1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@H](c2ccsc2)N2CCNCC2)cc1
InChIInChI=1S/C16H17F3N2OS.ClH/c17-16(18,19)22-14-3-1-12(2-4-14)15(13-5-10-23-11-13)21-8-6-20-7-9-21;/h1-5,10-11,15,20H,6-9H2;1H/t15-;/m1./s1
InChIKeyFHZGYLUXRKQGMO-XFULWGLBSA-N
MW378.85 g/mol
LogP4.06
Rot. Bonds4

About 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171180039) has the molecular formula C16H18ClF3N2OS and a molecular weight of 378.85 g/mol. Its IUPAC name is 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID171180039
Molecular FormulaC16H18ClF3N2OS
Molecular Weight378.85 g/mol
Exact Mass378.08
IUPAC Name1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@H](c2ccsc2)N2CCNCC2)cc1
InChIInChI=1S/C16H17F3N2OS.ClH/c17-16(18,19)22-14-3-1-12(2-4-14)15(13-5-10-23-11-13)21-8-6-20-7-9-21;/h1-5,10-11,15,20H,6-9H2;1H/t15-;/m1./s1
InChIKeyFHZGYLUXRKQGMO-XFULWGLBSA-N
XLogP4.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171177341
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272564
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171178155
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275299
1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280875
1-[(S)-thiophen-3-yl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171176572
1-[(S)-(4-methylsulfanylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171281961
1-[(S)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287926
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (CID 171180039) is 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)Oc1ccc([C@H](c2ccsc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is FHZGYLUXRKQGMO-XFULWGLBSA-N. The full InChI is InChI=1S/C16H17F3N2OS.ClH/c17-16(18,19)22-14-3-1-12(2-4-14)15(13-5-10-23-11-13)21-8-6-20-7-9-21;/h1-5,10-11,15,20H,6-9H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 378.85 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171180039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).