1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol

C23H24N2OS2 — CID 11732304

IUPAC1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2ccc3sccc3c2)CC1)c1csc2ccccc12
InChIInChI=1S/C23H24N2OS2/c26-21(20-16-28-23-4-2-1-3-19(20)23)7-9-24-10-12-25(13-11-24)18-5-6-22-17(15-18)8-14-27-22/h1-6,8,14-16,21,26H,7,9-13H2
InChIKeyNWAOYZLUBBEZAL-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.36
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol

1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol (PubChem CID 11732304) has the molecular formula C23H24N2OS2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol
PubChem CID11732304
Molecular FormulaC23H24N2OS2
Molecular Weight408.59 g/mol
Exact Mass408.13
IUPAC Name1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2ccc3sccc3c2)CC1)c1csc2ccccc12
InChIInChI=1S/C23H24N2OS2/c26-21(20-16-28-23-4-2-1-3-19(20)23)7-9-24-10-12-25(13-11-24)18-5-6-22-17(15-18)8-14-27-22/h1-6,8,14-16,21,26H,7,9-13H2
InChIKeyNWAOYZLUBBEZAL-UHFFFAOYSA-N
XLogP5.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol (CID 11732304) is 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol is OC(CCN1CCN(c2ccc3sccc3c2)CC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is NWAOYZLUBBEZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS2/c26-21(20-16-28-23-4-2-1-3-19(20)23)7-9-24-10-12-25(13-11-24)18-5-6-22-17(15-18)8-14-27-22/h1-6,8,14-16,21,26H,7,9-13H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol?
1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 408.59 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-[4-(1-benzothiophen-5-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 11732304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).