2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine

C16H25BrN2S — CID 79060633

IUPAC2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H25BrN2S/c17-15-7-6-13(20-15)12-14(18)16(8-2-3-9-16)19-10-4-1-5-11-19/h6-7,14H,1-5,8-12,18H2
InChIKeyJUXQMRUUICGHFD-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.18
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine (PubChem CID 79060633) has the molecular formula C16H25BrN2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
PubChem CID79060633
Molecular FormulaC16H25BrN2S
Molecular Weight357.36 g/mol
Exact Mass356.09
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H25BrN2S/c17-15-7-6-13(20-15)12-14(18)16(8-2-3-9-16)19-10-4-1-5-11-19/h6-7,14H,1-5,8-12,18H2
InChIKeyJUXQMRUUICGHFD-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417582
2-pyridin-4-yl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79058714
1-[2-(5-bromothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451857
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 79059762
2-(2-chlorophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanamine
CID 79060854
1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 79057434
N-[(5-bromothiophen-2-yl)methyl]piperidin-1-amine
CID 83007755
1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
CID 79057744
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanol
CID 63414703
3-(2-methylpyrazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)propan-1-amine
CID 103011146
3-(azepan-1-yl)-1-(5-bromothiophen-2-yl)-N,3-dimethylbutan-2-amine
CID 79052539
1-(1-piperidin-1-ylcyclopentyl)heptan-1-amine
CID 79057989

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine (CID 79060633) is 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine is NC(Cc1ccc(Br)s1)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine?
The InChIKey is JUXQMRUUICGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2S/c17-15-7-6-13(20-15)12-14(18)16(8-2-3-9-16)19-10-4-1-5-11-19/h6-7,14H,1-5,8-12,18H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine has a molecular weight of 357.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine is sourced from PubChem (CID 79060633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).