1-[1-(5-bromothiophen-2-yl)pentyl]piperazine

C13H21BrN2S — CID 4044898

IUPAC1-[1-(5-bromothiophen-2-yl)pentyl]piperazine
SMILESCCCCC(c1ccc(Br)s1)N1CCNCC1
InChIInChI=1S/C13H21BrN2S/c1-2-3-4-11(12-5-6-13(14)17-12)16-9-7-15-8-10-16/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyGBXILVFDIRGNQH-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.65
Rot. Bonds5

About 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine

1-[1-(5-bromothiophen-2-yl)pentyl]piperazine (PubChem CID 4044898) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-[1-(5-bromothiophen-2-yl)pentyl]piperazine
PubChem CID4044898
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name1-[1-(5-bromothiophen-2-yl)pentyl]piperazine
SMILESCCCCC(c1ccc(Br)s1)N1CCNCC1
InChIInChI=1S/C13H21BrN2S/c1-2-3-4-11(12-5-6-13(14)17-12)16-9-7-15-8-10-16/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyGBXILVFDIRGNQH-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine?
The IUPAC name of 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine (CID 4044898) is 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine.
What is the SMILES notation for 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine?
The canonical SMILES for 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine is CCCCC(c1ccc(Br)s1)N1CCNCC1.
What is the InChIKey of 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine?
The InChIKey is GBXILVFDIRGNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-2-3-4-11(12-5-6-13(14)17-12)16-9-7-15-8-10-16/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine?
1-[1-(5-bromothiophen-2-yl)pentyl]piperazine has a molecular weight of 317.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromothiophen-2-yl)pentyl]piperazine is sourced from PubChem (CID 4044898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).