1-(1-benzothiophen-2-yl)piperazine

C12H14N2S — CID 19064974

IUPAC1-(1-benzothiophen-2-yl)piperazine
SMILESc1ccc2sc(N3CCNCC3)cc2c1
InChIInChI=1S/C12H14N2S/c1-2-4-11-10(3-1)9-12(15-11)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2
InChIKeyFYKGUURZJVYPQE-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.31
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)piperazine

1-(1-benzothiophen-2-yl)piperazine (PubChem CID 19064974) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)piperazine
PubChem CID19064974
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(1-benzothiophen-2-yl)piperazine
SMILESc1ccc2sc(N3CCNCC3)cc2c1
InChIInChI=1S/C12H14N2S/c1-2-4-11-10(3-1)9-12(15-11)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2
InChIKeyFYKGUURZJVYPQE-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)piperazine?
The IUPAC name of 1-(1-benzothiophen-2-yl)piperazine (CID 19064974) is 1-(1-benzothiophen-2-yl)piperazine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)piperazine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)piperazine is c1ccc2sc(N3CCNCC3)cc2c1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)piperazine?
The InChIKey is FYKGUURZJVYPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-4-11-10(3-1)9-12(15-11)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2.
What are the key properties of 1-(1-benzothiophen-2-yl)piperazine?
1-(1-benzothiophen-2-yl)piperazine has a molecular weight of 218.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)piperazine is sourced from PubChem (CID 19064974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).