1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine

C24H25FN2S2 — CID 10928016

IUPAC1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine
SMILESFc1cccc2scc(CCCCN3CCN(c4cccc5ccsc45)CC3)c12
InChIInChI=1S/C24H25FN2S2/c25-20-7-4-9-22-23(20)19(17-29-22)5-1-2-11-26-12-14-27(15-13-26)21-8-3-6-18-10-16-28-24(18)21/h3-4,6-10,16-17H,1-2,5,11-15H2
InChIKeyXQMYDICRKIQPNR-UHFFFAOYSA-N
MW424.61 g/mol
LogP6.40
Rot. Bonds6

About 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine

1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine (PubChem CID 10928016) has the molecular formula C24H25FN2S2 and a molecular weight of 424.61 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine
PubChem CID10928016
Molecular FormulaC24H25FN2S2
Molecular Weight424.61 g/mol
Exact Mass424.14
IUPAC Name1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine
SMILESFc1cccc2scc(CCCCN3CCN(c4cccc5ccsc45)CC3)c12
InChIInChI=1S/C24H25FN2S2/c25-20-7-4-9-22-23(20)19(17-29-22)5-1-2-11-26-12-14-27(15-13-26)21-8-3-6-18-10-16-28-24(18)21/h3-4,6-10,16-17H,1-2,5,11-15H2
InChIKeyXQMYDICRKIQPNR-UHFFFAOYSA-N
XLogP6.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Benzo[b]thiophen-7-yl)piperazine
CID 11988373
1-[3-(Benzenesulfonyl)-1-benzothiophen-7-yl]piperazine
CID 10178788
1-(1-Benzothiophen-3-yl)-4-methylpiperazine
CID 11447613
1-Dibenzothiophen-2-ylpyrrolidine
CID 168285114
N,N-diethyldibenzothiophen-2-amine
CID 168287033
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-[2-(1-Benzothiophen-4-yl)-1-benzothiophen-4-yl]piperazine
CID 132327125
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
4-[4-(6-Fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butanenitrile
CID 18980212

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine (CID 10928016) is 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine is Fc1cccc2scc(CCCCN3CCN(c4cccc5ccsc45)CC3)c12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine?
The InChIKey is XQMYDICRKIQPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2S2/c25-20-7-4-9-22-23(20)19(17-29-22)5-1-2-11-26-12-14-27(15-13-26)21-8-3-6-18-10-16-28-24(18)21/h3-4,6-10,16-17H,1-2,5,11-15H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine?
1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine has a molecular weight of 424.61 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazine is sourced from PubChem (CID 10928016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).