1-(5-methylthiophen-3-yl)piperazine

C9H14N2S — CID 65099950

IUPAC1-(5-methylthiophen-3-yl)piperazine
SMILESCc1cc(N2CCNCC2)cs1
InChIInChI=1S/C9H14N2S/c1-8-6-9(7-12-8)11-4-2-10-3-5-11/h6-7,10H,2-5H2,1H3
InChIKeyPERWOPYPEOOMNK-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.47
Rot. Bonds1

About 1-(5-methylthiophen-3-yl)piperazine

1-(5-methylthiophen-3-yl)piperazine (PubChem CID 65099950) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)piperazine
PubChem CID65099950
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name1-(5-methylthiophen-3-yl)piperazine
SMILESCc1cc(N2CCNCC2)cs1
InChIInChI=1S/C9H14N2S/c1-8-6-9(7-12-8)11-4-2-10-3-5-11/h6-7,10H,2-5H2,1H3
InChIKeyPERWOPYPEOOMNK-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)piperazine?
The IUPAC name of 1-(5-methylthiophen-3-yl)piperazine (CID 65099950) is 1-(5-methylthiophen-3-yl)piperazine.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)piperazine?
The canonical SMILES for 1-(5-methylthiophen-3-yl)piperazine is Cc1cc(N2CCNCC2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)piperazine?
The InChIKey is PERWOPYPEOOMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-8-6-9(7-12-8)11-4-2-10-3-5-11/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)piperazine?
1-(5-methylthiophen-3-yl)piperazine has a molecular weight of 182.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)piperazine is sourced from PubChem (CID 65099950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).