1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine

C16H22N2S — CID 164933943

IUPAC1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine
SMILESCC(C)(C)c1ccc2scc(N3CCNCC3)c2c1
InChIInChI=1S/C16H22N2S/c1-16(2,3)12-4-5-15-13(10-12)14(11-19-15)18-8-6-17-7-9-18/h4-5,10-11,17H,6-9H2,1-3H3
InChIKeyWLMKTAQIFFDIAF-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.61
Rot. Bonds1

About 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine

1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine (PubChem CID 164933943) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine
PubChem CID164933943
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine
SMILESCC(C)(C)c1ccc2scc(N3CCNCC3)c2c1
InChIInChI=1S/C16H22N2S/c1-16(2,3)12-4-5-15-13(10-12)14(11-19-15)18-8-6-17-7-9-18/h4-5,10-11,17H,6-9H2,1-3H3
InChIKeyWLMKTAQIFFDIAF-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine?
The IUPAC name of 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine (CID 164933943) is 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine.
What is the SMILES notation for 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine?
The canonical SMILES for 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine is CC(C)(C)c1ccc2scc(N3CCNCC3)c2c1.
What is the InChIKey of 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine?
The InChIKey is WLMKTAQIFFDIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-16(2,3)12-4-5-15-13(10-12)14(11-19-15)18-8-6-17-7-9-18/h4-5,10-11,17H,6-9H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine?
1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine has a molecular weight of 274.43 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1-benzothiophen-3-yl)piperazine is sourced from PubChem (CID 164933943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).