1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C20H19F3N2S — CID 11314880

IUPAC1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1
InChIInChI=1S/C20H19F3N2S/c21-20(22,23)16-4-3-5-17(12-16)25-10-8-24(9-11-25)13-15-14-26-19-7-2-1-6-18(15)19/h1-7,12,14H,8-11,13H2
InChIKeyFQCQQHZFTAUBOY-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.24
Rot. Bonds3

About 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 11314880) has the molecular formula C20H19F3N2S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID11314880
Molecular FormulaC20H19F3N2S
Molecular Weight376.45 g/mol
Exact Mass376.12
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1
InChIInChI=1S/C20H19F3N2S/c21-20(22,23)16-4-3-5-17(12-16)25-10-8-24(9-11-25)13-15-14-26-19-7-2-1-6-18(15)19/h1-7,12,14H,8-11,13H2
InChIKeyFQCQQHZFTAUBOY-UHFFFAOYSA-N
XLogP5.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzo[b]thiophen-7-yl)piperazine
CID 11988373
4-(1-benzothiophen-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 11588595
N-(1-benzothiophen-5-yl)-N-benzylpiperidin-4-amine
CID 44467960
1-(2,3-Dimethylphenyl)-4-[(5-methylthiophen-3-yl)methyl]piperazine
CID 16019087
4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide
CID 11588358
3-[(4-Thiophen-3-ylphenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
CID 134795584
1-(2,3-Dimethylphenyl)-4-{[5-methyl-4-(4-methylphenyl)thiophen-3-YL]methyl}piperazine
CID 16019119
1-(2,5-Dimethylphenyl)-4-{[5-methyl-4-(4-methylphenyl)thiophen-3-YL]methyl}piperazine
CID 16019137
2-Methyl-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]-1-(3-methylphenyl)piperazine
CID 16019141
1-{[5-Methyl-4-(4-methylphenyl)thiophen-3-YL]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 16019143
3-[(4-Thiophen-2-ylphenyl)methyl]-8-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
CID 134790454
1-(1-Benzothiophen-3-yl)piperidine
CID 281089

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 11314880) is 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3csc4ccccc34)CC2)c1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is FQCQQHZFTAUBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2S/c21-20(22,23)16-4-3-5-17(12-16)25-10-8-24(9-11-25)13-15-14-26-19-7-2-1-6-18(15)19/h1-7,12,14H,8-11,13H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 376.45 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 11314880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).