2-thiophen-3-ylpiperazine

C8H12N2S — CID 16740794

IUPAC2-thiophen-3-ylpiperazine
SMILESc1cc(C2CNCCN2)cs1
InChIInChI=1S/C8H12N2S/c1-4-11-6-7(1)8-5-9-2-3-10-8/h1,4,6,8-10H,2-3,5H2
InChIKeyCNCNNYFNOXHYAC-UHFFFAOYSA-N
MW168.27 g/mol
LogP0.98
Rot. Bonds1

About 2-thiophen-3-ylpiperazine

2-thiophen-3-ylpiperazine (PubChem CID 16740794) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 2-thiophen-3-ylpiperazine.

Molecular Properties

Compound Name2-thiophen-3-ylpiperazine
PubChem CID16740794
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name2-thiophen-3-ylpiperazine
SMILESc1cc(C2CNCCN2)cs1
InChIInChI=1S/C8H12N2S/c1-4-11-6-7(1)8-5-9-2-3-10-8/h1,4,6,8-10H,2-3,5H2
InChIKeyCNCNNYFNOXHYAC-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylpiperazine?
The IUPAC name of 2-thiophen-3-ylpiperazine (CID 16740794) is 2-thiophen-3-ylpiperazine.
What is the SMILES notation for 2-thiophen-3-ylpiperazine?
The canonical SMILES for 2-thiophen-3-ylpiperazine is c1cc(C2CNCCN2)cs1.
What is the InChIKey of 2-thiophen-3-ylpiperazine?
The InChIKey is CNCNNYFNOXHYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-11-6-7(1)8-5-9-2-3-10-8/h1,4,6,8-10H,2-3,5H2.
What are the key properties of 2-thiophen-3-ylpiperazine?
2-thiophen-3-ylpiperazine has a molecular weight of 168.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylpiperazine is sourced from PubChem (CID 16740794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).