1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine

C11H18BrN3S — CID 82308543

IUPAC1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CC(N)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H18BrN3S/c1-14-4-6-15(7-5-14)8-9(13)10-2-3-11(12)16-10/h2-3,9H,4-8,13H2,1H3
InChIKeyGIEDZBAXKRPTQO-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.76
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine

1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 82308543) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID82308543
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CC(N)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H18BrN3S/c1-14-4-6-15(7-5-14)8-9(13)10-2-3-11(12)16-10/h2-3,9H,4-8,13H2,1H3
InChIKeyGIEDZBAXKRPTQO-UHFFFAOYSA-N
XLogP1.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
CID 116939903
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536
2-(4-propylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287657
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
methyl 2-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetate
CID 116860484
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 113279389
(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 67430850
1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049288
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 82308543) is 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(CC(N)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is GIEDZBAXKRPTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-14-4-6-15(7-5-14)8-9(13)10-2-3-11(12)16-10/h2-3,9H,4-8,13H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 304.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 82308543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).