1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

C16H17Cl2F3N2OS — CID 171180732

IUPAC1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1cccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c1
InChIInChI=1S/C16H16ClF3N2OS.ClH/c17-14-5-4-13(24-14)15(22-8-6-21-7-9-22)11-2-1-3-12(10-11)23-16(18,19)20;/h1-5,10,15,21H,6-9H2;1H/t15-;/m1./s1
InChIKeyQHWLMXRAMKMQFN-XFULWGLBSA-N
MW413.29 g/mol
LogP4.72
Rot. Bonds4

About 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171180732) has the molecular formula C16H17Cl2F3N2OS and a molecular weight of 413.29 g/mol. Its IUPAC name is 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID171180732
Molecular FormulaC16H17Cl2F3N2OS
Molecular Weight413.29 g/mol
Exact Mass412.04
IUPAC Name1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1cccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c1
InChIInChI=1S/C16H16ClF3N2OS.ClH/c17-14-5-4-13(24-14)15(22-8-6-21-7-9-22)11-2-1-3-12(10-11)23-16(18,19)20;/h1-5,10,15,21H,6-9H2;1H/t15-;/m1./s1
InChIKeyQHWLMXRAMKMQFN-XFULWGLBSA-N
XLogP4.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176675
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171178496
1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180714
1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171177341
1-[(R)-(5-chlorothiophen-2-yl)-[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171181302
1-[(R)-(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171180017
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[(S)-(4-chloro-3-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine
CID 171177801
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275678
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]piperazine;hydrochloride
CID 171179364
1-[(S)-(5-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171175915
1-[(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171293140

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (CID 171180732) is 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)Oc1cccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is QHWLMXRAMKMQFN-XFULWGLBSA-N. The full InChI is InChI=1S/C16H16ClF3N2OS.ClH/c17-14-5-4-13(24-14)15(22-8-6-21-7-9-22)11-2-1-3-12(10-11)23-16(18,19)20;/h1-5,10,15,21H,6-9H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 413.29 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171180732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).