2-(6-fluoro-1-benzothiophen-3-yl)piperazine

C12H13FN2S — CID 54113082

IUPAC2-(6-fluoro-1-benzothiophen-3-yl)piperazine
SMILESFc1ccc2c(C3CNCCN3)csc2c1
InChIInChI=1S/C12H13FN2S/c13-8-1-2-9-10(7-16-12(9)5-8)11-6-14-3-4-15-11/h1-2,5,7,11,14-15H,3-4,6H2
InChIKeyNILMBLOLZFUAHJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.27
Rot. Bonds1

About 2-(6-fluoro-1-benzothiophen-3-yl)piperazine

2-(6-fluoro-1-benzothiophen-3-yl)piperazine (PubChem CID 54113082) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(6-fluoro-1-benzothiophen-3-yl)piperazine.

Molecular Properties

Compound Name2-(6-fluoro-1-benzothiophen-3-yl)piperazine
PubChem CID54113082
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name2-(6-fluoro-1-benzothiophen-3-yl)piperazine
SMILESFc1ccc2c(C3CNCCN3)csc2c1
InChIInChI=1S/C12H13FN2S/c13-8-1-2-9-10(7-16-12(9)5-8)11-6-14-3-4-15-11/h1-2,5,7,11,14-15H,3-4,6H2
InChIKeyNILMBLOLZFUAHJ-UHFFFAOYSA-N
XLogP2.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-benzothiophen-3-yl)piperazine?
The IUPAC name of 2-(6-fluoro-1-benzothiophen-3-yl)piperazine (CID 54113082) is 2-(6-fluoro-1-benzothiophen-3-yl)piperazine.
What is the SMILES notation for 2-(6-fluoro-1-benzothiophen-3-yl)piperazine?
The canonical SMILES for 2-(6-fluoro-1-benzothiophen-3-yl)piperazine is Fc1ccc2c(C3CNCCN3)csc2c1.
What is the InChIKey of 2-(6-fluoro-1-benzothiophen-3-yl)piperazine?
The InChIKey is NILMBLOLZFUAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-8-1-2-9-10(7-16-12(9)5-8)11-6-14-3-4-15-11/h1-2,5,7,11,14-15H,3-4,6H2.
What are the key properties of 2-(6-fluoro-1-benzothiophen-3-yl)piperazine?
2-(6-fluoro-1-benzothiophen-3-yl)piperazine has a molecular weight of 236.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-benzothiophen-3-yl)piperazine is sourced from PubChem (CID 54113082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).