2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine

C11H16Br2N2S — CID 102838136

IUPAC2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
SMILESNCC(c1cc(Br)c(Br)s1)N1CCCCC1
InChIInChI=1S/C11H16Br2N2S/c12-8-6-10(16-11(8)13)9(7-14)15-4-2-1-3-5-15/h6,9H,1-5,7,14H2
InChIKeyWUZAADFLYMKRCC-UHFFFAOYSA-N
MW368.14 g/mol
LogP3.76
Rot. Bonds3

About 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine

2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine (PubChem CID 102838136) has the molecular formula C11H16Br2N2S and a molecular weight of 368.14 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
PubChem CID102838136
Molecular FormulaC11H16Br2N2S
Molecular Weight368.14 g/mol
Exact Mass365.94
IUPAC Name2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
SMILESNCC(c1cc(Br)c(Br)s1)N1CCCCC1
InChIInChI=1S/C11H16Br2N2S/c12-8-6-10(16-11(8)13)9(7-14)15-4-2-1-3-5-15/h6,9H,1-5,7,14H2
InChIKeyWUZAADFLYMKRCC-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102838255
2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
CID 102839099
ethyl 3-(4,5-dibromothiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 102844868
2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 102840044
2-(4,5-dibromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839249
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 102839160
2-(4,5-dibromothiophen-2-yl)-2-piperazin-1-ylethanol
CID 102843442
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
CID 102838907
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 102839158
2-(4,5-dibromothiophen-2-yl)-2-pyrrolidin-1-ylacetic acid
CID 102843185

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine (CID 102838136) is 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine is NCC(c1cc(Br)c(Br)s1)N1CCCCC1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine?
The InChIKey is WUZAADFLYMKRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2S/c12-8-6-10(16-11(8)13)9(7-14)15-4-2-1-3-5-15/h6,9H,1-5,7,14H2.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine?
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine has a molecular weight of 368.14 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 102838136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).