1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine

C20H21FN2S — CID 57022295

IUPAC1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine
SMILESFc1ccc(CCN2CCN(c3cccc4sccc34)CC2)cc1
InChIInChI=1S/C20H21FN2S/c21-17-6-4-16(5-7-17)8-10-22-11-13-23(14-12-22)19-2-1-3-20-18(19)9-15-24-20/h1-7,9,15H,8,10-14H2
InChIKeyYETKAGWAVJDCIK-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.41
Rot. Bonds4

About 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine

1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine (PubChem CID 57022295) has the molecular formula C20H21FN2S and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine
PubChem CID57022295
Molecular FormulaC20H21FN2S
Molecular Weight340.47 g/mol
Exact Mass340.14
IUPAC Name1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine
SMILESFc1ccc(CCN2CCN(c3cccc4sccc34)CC2)cc1
InChIInChI=1S/C20H21FN2S/c21-17-6-4-16(5-7-17)8-10-22-11-13-23(14-12-22)19-2-1-3-20-18(19)9-15-24-20/h1-7,9,15H,8,10-14H2
InChIKeyYETKAGWAVJDCIK-UHFFFAOYSA-N
XLogP4.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine (CID 57022295) is 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine is Fc1ccc(CCN2CCN(c3cccc4sccc34)CC2)cc1.
What is the InChIKey of 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine?
The InChIKey is YETKAGWAVJDCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2S/c21-17-6-4-16(5-7-17)8-10-22-11-13-23(14-12-22)19-2-1-3-20-18(19)9-15-24-20/h1-7,9,15H,8,10-14H2.
What are the key properties of 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine?
1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine has a molecular weight of 340.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 57022295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).