1-(1-benzothiophen-4-yl)-4-butylpiperazine

C16H22N2S — CID 123271627

IUPAC1-(1-benzothiophen-4-yl)-4-butylpiperazine
SMILESCCCCN1CCN(c2cccc3sccc23)CC1
InChIInChI=1S/C16H22N2S/c1-2-3-8-17-9-11-18(12-10-17)15-5-4-6-16-14(15)7-13-19-16/h4-7,13H,2-3,8-12H2,1H3
InChIKeyHPTYFOYFPPFIIX-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.82
Rot. Bonds4

About 1-(1-benzothiophen-4-yl)-4-butylpiperazine

1-(1-benzothiophen-4-yl)-4-butylpiperazine (PubChem CID 123271627) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-4-yl)-4-butylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-4-yl)-4-butylpiperazine
PubChem CID123271627
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(1-benzothiophen-4-yl)-4-butylpiperazine
SMILESCCCCN1CCN(c2cccc3sccc23)CC1
InChIInChI=1S/C16H22N2S/c1-2-3-8-17-9-11-18(12-10-17)15-5-4-6-16-14(15)7-13-19-16/h4-7,13H,2-3,8-12H2,1H3
InChIKeyHPTYFOYFPPFIIX-UHFFFAOYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-4-yl)-4-butylpiperazine?
The IUPAC name of 1-(1-benzothiophen-4-yl)-4-butylpiperazine (CID 123271627) is 1-(1-benzothiophen-4-yl)-4-butylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-4-yl)-4-butylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-4-yl)-4-butylpiperazine is CCCCN1CCN(c2cccc3sccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-4-yl)-4-butylpiperazine?
The InChIKey is HPTYFOYFPPFIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-3-8-17-9-11-18(12-10-17)15-5-4-6-16-14(15)7-13-19-16/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of 1-(1-benzothiophen-4-yl)-4-butylpiperazine?
1-(1-benzothiophen-4-yl)-4-butylpiperazine has a molecular weight of 274.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-4-yl)-4-butylpiperazine is sourced from PubChem (CID 123271627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).