2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine

C13H21BrN2S — CID 115209426

IUPAC2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCN(CCc1cc(Br)cs1)CC1CCCCN1
InChIInChI=1S/C13H21BrN2S/c1-16(9-12-4-2-3-6-15-12)7-5-13-8-11(14)10-17-13/h8,10,12,15H,2-7,9H2,1H3
InChIKeyUYYPXQXGGBPNME-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.13
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine

2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 115209426) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID115209426
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCN(CCc1cc(Br)cs1)CC1CCCCN1
InChIInChI=1S/C13H21BrN2S/c1-16(9-12-4-2-3-6-15-12)7-5-13-8-11(14)10-17-13/h8,10,12,15H,2-7,9H2,1H3
InChIKeyUYYPXQXGGBPNME-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209420
2-[2-(4-bromothiophen-2-yl)ethyl]azepane
CID 107355607
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
CID 115239944
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240280
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
2-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238495
1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 107355080
N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 107355089
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208449
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine (CID 115209426) is 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine is CN(CCc1cc(Br)cs1)CC1CCCCN1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is UYYPXQXGGBPNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-16(9-12-4-2-3-6-15-12)7-5-13-8-11(14)10-17-13/h8,10,12,15H,2-7,9H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine?
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 317.30 g/mol, XLogP of 3.13, 5 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)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115209426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).