2-(5-bromothiophen-2-yl)piperazine

C8H11BrN2S — CID 19763606

IUPAC2-(5-bromothiophen-2-yl)piperazine
SMILESBrc1ccc(C2CNCCN2)s1
InChIInChI=1S/C8H11BrN2S/c9-8-2-1-7(12-8)6-5-10-3-4-11-6/h1-2,6,10-11H,3-5H2
InChIKeyWDZOKSYMGVOWFV-UHFFFAOYSA-N
MW247.16 g/mol
LogP1.74
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)piperazine

2-(5-bromothiophen-2-yl)piperazine (PubChem CID 19763606) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)piperazine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)piperazine
PubChem CID19763606
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name2-(5-bromothiophen-2-yl)piperazine
SMILESBrc1ccc(C2CNCCN2)s1
InChIInChI=1S/C8H11BrN2S/c9-8-2-1-7(12-8)6-5-10-3-4-11-6/h1-2,6,10-11H,3-5H2
InChIKeyWDZOKSYMGVOWFV-UHFFFAOYSA-N
XLogP1.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)piperazine?
The IUPAC name of 2-(5-bromothiophen-2-yl)piperazine (CID 19763606) is 2-(5-bromothiophen-2-yl)piperazine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)piperazine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)piperazine is Brc1ccc(C2CNCCN2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)piperazine?
The InChIKey is WDZOKSYMGVOWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c9-8-2-1-7(12-8)6-5-10-3-4-11-6/h1-2,6,10-11H,3-5H2.
What are the key properties of 2-(5-bromothiophen-2-yl)piperazine?
2-(5-bromothiophen-2-yl)piperazine has a molecular weight of 247.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)piperazine is sourced from PubChem (CID 19763606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).