2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine

C12H19BrN2S — CID 43123628

IUPAC2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCCN1C(CN)c1cc(Br)cs1
InChIInChI=1S/C12H19BrN2S/c1-9-4-2-3-5-15(9)11(7-14)12-6-10(13)8-16-12/h6,8-9,11H,2-5,7,14H2,1H3
InChIKeyRFARUXKTWVAFNH-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine

2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine (PubChem CID 43123628) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
PubChem CID43123628
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCCN1C(CN)c1cc(Br)cs1
InChIInChI=1S/C12H19BrN2S/c1-9-4-2-3-5-15(9)11(7-14)12-6-10(13)8-16-12/h6,8-9,11H,2-5,7,14H2,1H3
InChIKeyRFARUXKTWVAFNH-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 114086348
2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541933
2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 43123632
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519
2-(5-chlorothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43146867
2-(3-bromofuran-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 106885545
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202
2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43123646
2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 54977741
2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82040647
2-(2,6-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16786148

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine (CID 43123628) is 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine is CC1CCCCN1C(CN)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine?
The InChIKey is RFARUXKTWVAFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-9-4-2-3-5-15(9)11(7-14)12-6-10(13)8-16-12/h6,8-9,11H,2-5,7,14H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine?
2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine has a molecular weight of 303.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 43123628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).