1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine

C16H21FN2S — CID 22373383

IUPAC1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine
SMILESCCCCN1CCN(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C16H21FN2S/c1-2-3-6-18-7-9-19(10-8-18)15-12-20-16-11-13(17)4-5-14(15)16/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeySZQXLGOURAZBLE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.96
Rot. Bonds4

About 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine

1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine (PubChem CID 22373383) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine
PubChem CID22373383
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine
SMILESCCCCN1CCN(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C16H21FN2S/c1-2-3-6-18-7-9-19(10-8-18)15-12-20-16-11-13(17)4-5-14(15)16/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeySZQXLGOURAZBLE-UHFFFAOYSA-N
XLogP3.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine?
The IUPAC name of 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine (CID 22373383) is 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine.
What is the SMILES notation for 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine?
The canonical SMILES for 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine is CCCCN1CCN(c2csc3cc(F)ccc23)CC1.
What is the InChIKey of 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine?
The InChIKey is SZQXLGOURAZBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-2-3-6-18-7-9-19(10-8-18)15-12-20-16-11-13(17)4-5-14(15)16/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine?
1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine has a molecular weight of 292.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine is sourced from PubChem (CID 22373383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).