2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine

C16H26BrN3S — CID 61215775

IUPAC2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
SMILESNCC(c1ccc(Br)s1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H26BrN3S/c17-16-5-4-15(21-16)14(12-18)20-10-6-13(7-11-20)19-8-2-1-3-9-19/h4-5,13-14H,1-3,6-12,18H2
InChIKeySFKWABMXFPRUQD-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.46
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine (PubChem CID 61215775) has the molecular formula C16H26BrN3S and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
PubChem CID61215775
Molecular FormulaC16H26BrN3S
Molecular Weight372.38 g/mol
Exact Mass371.10
IUPAC Name2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
SMILESNCC(c1ccc(Br)s1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H26BrN3S/c17-16-5-4-15(21-16)14(12-18)20-10-6-13(7-11-20)19-8-2-1-3-9-19/h4-5,13-14H,1-3,6-12,18H2
InChIKeySFKWABMXFPRUQD-UHFFFAOYSA-N
XLogP3.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
2-(5-bromothiophen-2-yl)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanamine
CID 79930781
2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985530
2-(5-bromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603804
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216262
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562446
2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66155655
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66472651
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine (CID 61215775) is 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine is NCC(c1ccc(Br)s1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The InChIKey is SFKWABMXFPRUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3S/c17-16-5-4-15(21-16)14(12-18)20-10-6-13(7-11-20)19-8-2-1-3-9-19/h4-5,13-14H,1-3,6-12,18H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine has a molecular weight of 372.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 61215775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).