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

C14H23BrN2S — CID 64977829

IUPAC1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
SMILESCCC1CN(C(C)c2ccc(Br)s2)C(CC)CN1
InChIInChI=1S/C14H23BrN2S/c1-4-11-9-17(12(5-2)8-16-11)10(3)13-6-7-14(15)18-13/h6-7,10-12,16H,4-5,8-9H2,1-3H3
InChIKeyYZXVCFSDWSZHSX-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.03
Rot. Bonds4

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

1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine (PubChem CID 64977829) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
PubChem CID64977829
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
SMILESCCC1CN(C(C)c2ccc(Br)s2)C(CC)CN1
InChIInChI=1S/C14H23BrN2S/c1-4-11-9-17(12(5-2)8-16-11)10(3)13-6-7-14(15)18-13/h6-7,10-12,16H,4-5,8-9H2,1-3H3
InChIKeyYZXVCFSDWSZHSX-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine
CID 64979538
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 64977794
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
2,5-diethyl-1-[1-(1-ethylpyrazol-4-yl)ethyl]piperazine
CID 64977920
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978281
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
CID 64977805
5-[1-[(2R,5S)-2,5-diethylpiperazin-1-yl]ethyl]-4-fluoro-1,3-benzothiazole
CID 177310039
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
CID 64948086
5-[1-[(2R,5S)-2,5-diethylpiperazin-1-yl]ethyl]-2,1-benzothiazole
CID 177310021
1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945692
3-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzonitrile
CID 64978138

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine?
The IUPAC name of 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine (CID 64977829) is 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine.
What is the SMILES notation for 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine?
The canonical SMILES for 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine is CCC1CN(C(C)c2ccc(Br)s2)C(CC)CN1.
What is the InChIKey of 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine?
The InChIKey is YZXVCFSDWSZHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-4-11-9-17(12(5-2)8-16-11)10(3)13-6-7-14(15)18-13/h6-7,10-12,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine?
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine has a molecular weight of 331.32 g/mol, XLogP of 4.03, 4 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)ethyl]-2,5-diethylpiperazine is sourced from PubChem (CID 64977829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).