1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine

C14H23BrN2S — CID 107355045

IUPAC1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CC1CCNCC1)C(C)c1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-3-17(9-12-4-6-16-7-5-12)11(2)14-8-13(15)10-18-14/h8,10-12,16H,3-7,9H2,1-2H3
InChIKeyNMYNPCPUAIOIES-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine

1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 107355045) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID107355045
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CC1CCNCC1)C(C)c1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-3-17(9-12-4-6-16-7-5-12)11(2)14-8-13(15)10-18-14/h8,10-12,16H,3-7,9H2,1-2H3
InChIKeyNMYNPCPUAIOIES-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 79697768
4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
CID 115209892
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486
1-(4-bromothiophen-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 107355080
3-[1-(4-bromothiophen-2-yl)ethyl-ethylamino]-2-methylpropanoic acid
CID 107355391
N-[(5-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714133
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210042
N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine
CID 79716038
N-[1-(4-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 107355089
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715260
2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile
CID 79717369
1-cyclopentyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79715112

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine (CID 107355045) is 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine is CCN(CC1CCNCC1)C(C)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is NMYNPCPUAIOIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-3-17(9-12-4-6-16-7-5-12)11(2)14-8-13(15)10-18-14/h8,10-12,16H,3-7,9H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 331.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 107355045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).