1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine

C19H18ClFN2S — CID 10451194

IUPAC1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2csc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H18ClFN2S/c20-15-5-6-19-16(11-15)14(13-24-19)12-22-7-9-23(10-8-22)18-4-2-1-3-17(18)21/h1-6,11,13H,7-10,12H2
InChIKeyPAYNDKQGQXLLRK-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.02
Rot. Bonds3

About 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine

1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 10451194) has the molecular formula C19H18ClFN2S and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine
PubChem CID10451194
Molecular FormulaC19H18ClFN2S
Molecular Weight360.89 g/mol
Exact Mass360.09
IUPAC Name1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2csc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H18ClFN2S/c20-15-5-6-19-16(11-15)14(13-24-19)12-22-7-9-23(10-8-22)18-4-2-1-3-17(18)21/h1-6,11,13H,7-10,12H2
InChIKeyPAYNDKQGQXLLRK-UHFFFAOYSA-N
XLogP5.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine
CID 11280344
2-(5-Chlorobenzo[b]thiophen-3-yl)-1-(4-phenyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethanone
CID 44586976
N-(Benzo[b]thiophen-2-ylmethyl)-4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-N-propylbutan-1-amine
CID 54580387
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline
CID 71115938
1-(4-Chlorophenyl)-4-[3-(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)propyl]piperazine
CID 9825578
1-(4-Fluorophenyl)-4-[(4,5,6,7-tetrahydro-1-benzothiophen-3-YL)methyl]piperazine
CID 22554318
1-(2-Fluorophenyl)-4-[(4,5,6,7-tetrahydro-1-benzothiophen-3-YL)methyl]piperazine
CID 22554322
1-(1-Benzothien-2-ylmethyl)-4-(2-fluorophenyl)piperazine
CID 10042062
1-(1-Benzothiophen-7-yl)-4-[4-(2-chloro-4-fluorophenyl)sulfanylbutyl]piperazine
CID 10181399
1-(1-Benzothiophen-7-yl)-4-[3-(2-chloro-4-fluorophenyl)sulfanylpropyl]piperazine
CID 10223940
1-Butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine
CID 22373383
1-(1-Benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine
CID 57022295

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine (CID 10451194) is 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(Cc2csc3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is PAYNDKQGQXLLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2S/c20-15-5-6-19-16(11-15)14(13-24-19)12-22-7-9-23(10-8-22)18-4-2-1-3-17(18)21/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine?
1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 360.89 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 10451194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).