1-(1-benzothiophen-3-yl)-4-methylpiperazine

C13H16N2S — CID 11447613

IUPAC1-(1-benzothiophen-3-yl)-4-methylpiperazine
SMILESCN1CCN(c2csc3ccccc23)CC1
InChIInChI=1S/C13H16N2S/c1-14-6-8-15(9-7-14)12-10-16-13-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3
InChIKeySGLAESRRTXGXDR-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.65
Rot. Bonds1

About 1-(1-benzothiophen-3-yl)-4-methylpiperazine

1-(1-benzothiophen-3-yl)-4-methylpiperazine (PubChem CID 11447613) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-4-methylpiperazine
PubChem CID11447613
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(1-benzothiophen-3-yl)-4-methylpiperazine
SMILESCN1CCN(c2csc3ccccc23)CC1
InChIInChI=1S/C13H16N2S/c1-14-6-8-15(9-7-14)12-10-16-13-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3
InChIKeySGLAESRRTXGXDR-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-4-methylpiperazine (CID 11447613) is 1-(1-benzothiophen-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-4-methylpiperazine is CN1CCN(c2csc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-4-methylpiperazine?
The InChIKey is SGLAESRRTXGXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-14-6-8-15(9-7-14)12-10-16-13-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-4-methylpiperazine?
1-(1-benzothiophen-3-yl)-4-methylpiperazine has a molecular weight of 232.35 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-4-methylpiperazine is sourced from PubChem (CID 11447613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).