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

C17H21Cl2F3N2OS — CID 171275678

IUPAC1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C17H19F3N2OS.2ClH/c1-12-2-7-15(24-12)16(22-10-8-21-9-11-22)13-3-5-14(6-4-13)23-17(18,19)20;;/h2-7,16,21H,8-11H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyYLCCTLCTZSZUAW-SQKCAUCHSA-N
MW429.34 g/mol
LogP4.79
Rot. Bonds4

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

1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171275678) has the molecular formula C17H21Cl2F3N2OS and a molecular weight of 429.34 g/mol. Its IUPAC name is 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
PubChem CID171275678
Molecular FormulaC17H21Cl2F3N2OS
Molecular Weight429.34 g/mol
Exact Mass428.07
IUPAC Name1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C17H19F3N2OS.2ClH/c1-12-2-7-15(24-12)16(22-10-8-21-9-11-22)13-3-5-14(6-4-13)23-17(18,19)20;;/h2-7,16,21H,8-11H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyYLCCTLCTZSZUAW-SQKCAUCHSA-N
XLogP4.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride 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-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-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176675
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280875
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275299
1-[(S)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287926
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(S)-(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280429
1-[(4-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methyl]piperazine
CID 3347906
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272564

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (CID 171275678) is 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is Cc1ccc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is YLCCTLCTZSZUAW-SQKCAUCHSA-N. The full InChI is InChI=1S/C17H19F3N2OS.2ClH/c1-12-2-7-15(24-12)16(22-10-8-21-9-11-22)13-3-5-14(6-4-13)23-17(18,19)20;;/h2-7,16,21H,8-11H2,1H3;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 429.34 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-methylthiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171275678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).