2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine

C12H18BrClN2S — CID 102838082

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cc(Br)c(Cl)s2)C1
InChIInChI=1S/C12H18BrClN2S/c1-8-3-2-4-16(7-8)10(6-15)11-5-9(13)12(14)17-11/h5,8,10H,2-4,6-7,15H2,1H3
InChIKeyCJRYBQABFSQQRO-UHFFFAOYSA-N
MW337.71 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine

2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine (PubChem CID 102838082) has the molecular formula C12H18BrClN2S and a molecular weight of 337.71 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
PubChem CID102838082
Molecular FormulaC12H18BrClN2S
Molecular Weight337.71 g/mol
Exact Mass336.01
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(C(CN)c2cc(Br)c(Cl)s2)C1
InChIInChI=1S/C12H18BrClN2S/c1-8-3-2-4-16(7-8)10(6-15)11-5-9(13)12(14)17-11/h5,8,10H,2-4,6-7,15H2,1H3
InChIKeyCJRYBQABFSQQRO-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586432
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839252
2-(4-bromothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 43123632
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 102838938
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 102839181
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 102839158
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine
CID 102839907
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102840074

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine (CID 102838082) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine is CC1CCCN(C(CN)c2cc(Br)c(Cl)s2)C1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine?
The InChIKey is CJRYBQABFSQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2S/c1-8-3-2-4-16(7-8)10(6-15)11-5-9(13)12(14)17-11/h5,8,10H,2-4,6-7,15H2,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine has a molecular weight of 337.71 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 102838082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).