1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

C16H17Cl2F3N2OS — CID 171176675

IUPAC1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@@H](c2ccc(Cl)s2)N2CCNCC2)cc1
InChIInChI=1S/C16H16ClF3N2OS.ClH/c17-14-6-5-13(24-14)15(22-9-7-21-8-10-22)11-1-3-12(4-2-11)23-16(18,19)20;/h1-6,15,21H,7-10H2;1H/t15-;/m0./s1
InChIKeyHSQUZQQIQVLWEX-RSAXXLAASA-N
MW413.29 g/mol
LogP4.72
Rot. Bonds4

About 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171176675) has the molecular formula C16H17Cl2F3N2OS and a molecular weight of 413.29 g/mol. Its IUPAC name is 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID171176675
Molecular FormulaC16H17Cl2F3N2OS
Molecular Weight413.29 g/mol
Exact Mass412.04
IUPAC Name1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@@H](c2ccc(Cl)s2)N2CCNCC2)cc1
InChIInChI=1S/C16H16ClF3N2OS.ClH/c17-14-6-5-13(24-14)15(22-9-7-21-8-10-22)11-1-3-12(4-2-11)23-16(18,19)20;/h1-6,15,21H,7-10H2;1H/t15-;/m0./s1
InChIKeyHSQUZQQIQVLWEX-RSAXXLAASA-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-[(S)-(5-chlorothiophen-2-yl)-[4-(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-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180732
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275678
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171275677
1-[(S)-(5-ethylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171281362
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180714
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280875
1-[(5-chlorothiophen-2-yl)-(4-ethylphenyl)methyl]piperazine
CID 4015812
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(R)-(2,3,6-trichlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171294618

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (CID 171176675) is 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)Oc1ccc([C@@H](c2ccc(Cl)s2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is HSQUZQQIQVLWEX-RSAXXLAASA-N. The full InChI is InChI=1S/C16H16ClF3N2OS.ClH/c17-14-6-5-13(24-14)15(22-9-7-21-8-10-22)11-1-3-12(4-2-11)23-16(18,19)20;/h1-6,15,21H,7-10H2;1H/t15-;/m0./s1.
What are the key properties of 1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
1-[(S)-(5-chlorothiophen-2-yl)-[4-(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-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171176675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).