N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine

C14H23BrN2S — CID 115211198

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
SMILESCN(CCc1ccc(Br)s1)CCC1CCCCN1
InChIInChI=1S/C14H23BrN2S/c1-17(10-7-12-4-2-3-9-16-12)11-8-13-5-6-14(15)18-13/h5-6,12,16H,2-4,7-11H2,1H3
InChIKeyALPNCCZCRPSMAX-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine

N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine (PubChem CID 115211198) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
PubChem CID115211198
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
SMILESCN(CCc1ccc(Br)s1)CCC1CCCCN1
InChIInChI=1S/C14H23BrN2S/c1-17(10-7-12-4-2-3-9-16-12)11-8-13-5-6-14(15)18-13/h5-6,12,16H,2-4,7-11H2,1H3
InChIKeyALPNCCZCRPSMAX-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.52
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-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210481
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211204
N-methyl-2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)ethanamine
CID 115211208
N-(2-fluoroethyl)-N-methyl-2-piperidin-2-ylethanamine
CID 80696333
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209426
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butan-1-amine
CID 61429136
N-methyl-N-(2-methylsulfanylethyl)-2-piperidin-2-ylethanamine
CID 112659937
N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197440
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine (CID 115211198) is N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine is CN(CCc1ccc(Br)s1)CCC1CCCCN1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine?
The InChIKey is ALPNCCZCRPSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-17(10-7-12-4-2-3-9-16-12)11-8-13-5-6-14(15)18-13/h5-6,12,16H,2-4,7-11H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine?
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine has a molecular weight of 331.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine is sourced from PubChem (CID 115211198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).