1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine

C11H17BrN2S — CID 764145

IUPAC1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2S/c1-2-13-3-5-14(6-4-13)8-11-7-10(12)9-15-11/h7,9H,2-6,8H2,1H3
InChIKeyOEZMMFGQDAWMSV-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.65
Rot. Bonds3

About 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine

1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine (PubChem CID 764145) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine
PubChem CID764145
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2S/c1-2-13-3-5-14(6-4-13)8-11-7-10(12)9-15-11/h7,9H,2-6,8H2,1H3
InChIKeyOEZMMFGQDAWMSV-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-Bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-[(5-Bromothiophen-2-yl)methyl]piperazine
CID 2455007
1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
N-[(4-bromo-2-thienyl)methyl]-N,N',N'-trimethyl-1,2-ethanediamine
CID 30326957
1-(4-Bromothiophen-2-yl)-N-methylmethanamine
CID 42282034
N-[(4-bromothiophen-2-yl)methyl]-N-methylprop-2-yn-1-amine
CID 60968971
2-[4-[(4-Bromothiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 2843088
1-((4-Bromothiophen-2-yl)methyl)-4-methylpiperazine
CID 677218
1-Methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine
CID 763355
4-[(4-Bromothien-2-YL)methyl]morpholine
CID 783497
1-[(5-Bromothiophen-2-yl)methyl]-4-ethylpiperazine
CID 763267
1-[(4-Bromo-2-thienyl)methyl]-4-methyl-1,4-diazepane
CID 763541

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine (CID 764145) is 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine is CCN1CCN(Cc2cc(Br)cs2)CC1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine?
The InChIKey is OEZMMFGQDAWMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-2-13-3-5-14(6-4-13)8-11-7-10(12)9-15-11/h7,9H,2-6,8H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine?
1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine has a molecular weight of 289.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 764145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).