1-(1-benzothiophen-4-yl)piperazine;methane

C13H18N2S — CID 161016318

IUPAC1-(1-benzothiophen-4-yl)piperazine;methane
SMILESC.c1cc(N2CCNCC2)c2ccsc2c1
InChIInChI=1S/C12H14N2S.CH4/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H4
InChIKeyTXTULWUICJXEFR-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.95
Rot. Bonds1

About 1-(1-benzothiophen-4-yl)piperazine;methane

1-(1-benzothiophen-4-yl)piperazine;methane (PubChem CID 161016318) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-4-yl)piperazine;methane.

Molecular Properties

Compound Name1-(1-benzothiophen-4-yl)piperazine;methane
PubChem CID161016318
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-(1-benzothiophen-4-yl)piperazine;methane
SMILESC.c1cc(N2CCNCC2)c2ccsc2c1
InChIInChI=1S/C12H14N2S.CH4/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H4
InChIKeyTXTULWUICJXEFR-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-4-yl)piperazine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-4-yl)piperazine;methane?
The IUPAC name of 1-(1-benzothiophen-4-yl)piperazine;methane (CID 161016318) is 1-(1-benzothiophen-4-yl)piperazine;methane.
What is the SMILES notation for 1-(1-benzothiophen-4-yl)piperazine;methane?
The canonical SMILES for 1-(1-benzothiophen-4-yl)piperazine;methane is C.c1cc(N2CCNCC2)c2ccsc2c1.
What is the InChIKey of 1-(1-benzothiophen-4-yl)piperazine;methane?
The InChIKey is TXTULWUICJXEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.CH4/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H4.
What are the key properties of 1-(1-benzothiophen-4-yl)piperazine;methane?
1-(1-benzothiophen-4-yl)piperazine;methane has a molecular weight of 234.37 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-4-yl)piperazine;methane is sourced from PubChem (CID 161016318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).