1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine

C13H21BrN2S — CID 64978692

IUPAC1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine
SMILESCCC1CN(Cc2csc(Br)c2)C(CC)CN1
InChIInChI=1S/C13H21BrN2S/c1-3-11-8-16(12(4-2)6-15-11)7-10-5-13(14)17-9-10/h5,9,11-12,15H,3-4,6-8H2,1-2H3
InChIKeyOMFYSWCCSYJGBD-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.47
Rot. Bonds4

About 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine

1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine (PubChem CID 64978692) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine
PubChem CID64978692
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine
SMILESCCC1CN(Cc2csc(Br)c2)C(CC)CN1
InChIInChI=1S/C13H21BrN2S/c1-3-11-8-16(12(4-2)6-15-11)7-10-5-13(14)17-9-10/h5,9,11-12,15H,3-4,6-8H2,1-2H3
InChIKeyOMFYSWCCSYJGBD-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64977817
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64842881
3-[(2,5-diethylpiperazin-1-yl)methyl]benzonitrile
CID 64977771
4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 64978673
1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64842505
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-diethylpiperazine
CID 64978599
2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64840995
1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine
CID 115883147
6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588
1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine
CID 63910635

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine (CID 64978692) is 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine is CCC1CN(Cc2csc(Br)c2)C(CC)CN1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine?
The InChIKey is OMFYSWCCSYJGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-3-11-8-16(12(4-2)6-15-11)7-10-5-13(14)17-9-10/h5,9,11-12,15H,3-4,6-8H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine?
1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine has a molecular weight of 317.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine is sourced from PubChem (CID 64978692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).