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

C21H23ClN2OS — CID 10596337

IUPAC1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc2ccccc12
InChIInChI=1S/C21H23ClN2OS/c22-16-5-7-17(8-6-16)24-13-11-23(12-14-24)10-9-20(25)19-15-26-21-4-2-1-3-18(19)21/h1-8,15,20,25H,9-14H2
InChIKeyBOOBJEJRGOYHJN-UHFFFAOYSA-N
MW386.95 g/mol
LogP4.80
Rot. Bonds5

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

1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol (PubChem CID 10596337) has the molecular formula C21H23ClN2OS and a molecular weight of 386.95 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol
PubChem CID10596337
Molecular FormulaC21H23ClN2OS
Molecular Weight386.95 g/mol
Exact Mass386.12
IUPAC Name1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc2ccccc12
InChIInChI=1S/C21H23ClN2OS/c22-16-5-7-17(8-6-16)24-13-11-23(12-14-24)10-9-20(25)19-15-26-21-4-2-1-3-18(19)21/h1-8,15,20,25H,9-14H2
InChIKeyBOOBJEJRGOYHJN-UHFFFAOYSA-N
XLogP4.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol (CID 10596337) is 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol is OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is BOOBJEJRGOYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2OS/c22-16-5-7-17(8-6-16)24-13-11-23(12-14-24)10-9-20(25)19-15-26-21-4-2-1-3-18(19)21/h1-8,15,20,25H,9-14H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol?
1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 386.95 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 10596337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).