1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine

C20H19F3N2S — CID 4214236

IUPAC1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(C(c2cc3ccccc3s2)N2CCNCC2)cc1
InChIInChI=1S/C20H19F3N2S/c21-20(22,23)16-7-5-14(6-8-16)19(25-11-9-24-10-12-25)18-13-15-3-1-2-4-17(15)26-18/h1-8,13,19,24H,9-12H2
InChIKeyOJYRUCVPILNDCU-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.91
Rot. Bonds3

About 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 4214236) has the molecular formula C20H19F3N2S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID4214236
Molecular FormulaC20H19F3N2S
Molecular Weight376.45 g/mol
Exact Mass376.12
IUPAC Name1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(C(c2cc3ccccc3s2)N2CCNCC2)cc1
InChIInChI=1S/C20H19F3N2S/c21-20(22,23)16-7-5-14(6-8-16)19(25-11-9-24-10-12-25)18-13-15-3-1-2-4-17(15)26-18/h1-8,13,19,24H,9-12H2
InChIKeyOJYRUCVPILNDCU-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine 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)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3939194
1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperazine
CID 3909785
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171174966
1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine
CID 3469669
1-[naphthalen-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3321871
1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine
CID 3742114
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3973215
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3815031
1-[(R)-[4-fluoro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171179028

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 4214236) is 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(C(c2cc3ccccc3s2)N2CCNCC2)cc1.
What is the InChIKey of 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is OJYRUCVPILNDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2S/c21-20(22,23)16-7-5-14(6-8-16)19(25-11-9-24-10-12-25)18-13-15-3-1-2-4-17(15)26-18/h1-8,13,19,24H,9-12H2.
What are the key properties of 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 376.45 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 4214236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).