2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine

C13H21BrN2S — CID 54983881

IUPAC2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H21BrN2S/c1-2-10-5-7-16(8-6-10)11(9-15)12-3-4-13(14)17-12/h3-4,10-11H,2,5-9,15H2,1H3
InChIKeyBPBZTEDMDBQCBL-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.63
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine (PubChem CID 54983881) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
PubChem CID54983881
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H21BrN2S/c1-2-10-5-7-16(8-6-10)11(9-15)12-3-4-13(14)17-12/h3-4,10-11H,2,5-9,15H2,1H3
InChIKeyBPBZTEDMDBQCBL-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 61215775
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61421143
2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562446
2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985530
2-(5-bromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603804
[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103352002
2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 55032552
2-(3-bromo-4-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420997
2-(4-bromo-3-fluorophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 81437156
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216262
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine (CID 54983881) is 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine is CCC1CCN(C(CN)c2ccc(Br)s2)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The InChIKey is BPBZTEDMDBQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-2-10-5-7-16(8-6-10)11(9-15)12-3-4-13(14)17-12/h3-4,10-11H,2,5-9,15H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine has a molecular weight of 317.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 54983881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).