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

C12H19BrN2S — CID 64979538

IUPAC1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine
SMILESCC1CN(C(C)c2ccc(Br)s2)C(C)CN1
InChIInChI=1S/C12H19BrN2S/c1-8-7-15(9(2)6-14-8)10(3)11-4-5-12(13)16-11/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyPPDGOGICUNPCFK-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.25
Rot. Bonds2

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

1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine (PubChem CID 64979538) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine
PubChem CID64979538
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine
SMILESCC1CN(C(C)c2ccc(Br)s2)C(C)CN1
InChIInChI=1S/C12H19BrN2S/c1-8-7-15(9(2)6-14-8)10(3)11-4-5-12(13)16-11/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyPPDGOGICUNPCFK-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-bromofuran-2-yl)ethyl]-2,5-dimethylpiperazine
CID 104653795
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
CID 64977829
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677
1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979644
1-[(1S)-1-(5-bromothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276089
1-but-3-en-2-yl-2,5-dimethylpiperazine
CID 64980427
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979578
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine
CID 64979618
1-(dicyclopropylmethyl)-2,5-dimethylpiperazine
CID 64937752
[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103352002
2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid
CID 146529570

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine (CID 64979538) is 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine is CC1CN(C(C)c2ccc(Br)s2)C(C)CN1.
What is the InChIKey of 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine?
The InChIKey is PPDGOGICUNPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-8-7-15(9(2)6-14-8)10(3)11-4-5-12(13)16-11/h4-5,8-10,14H,6-7H2,1-3H3.
What are the key properties of 1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine?
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpiperazine has a molecular weight of 303.27 g/mol, XLogP of 3.25, 2 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-dimethylpiperazine is sourced from PubChem (CID 64979538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).