5-bromo-3-(piperazin-1-ylmethyl)-2H-indole

C13H16BrN3 — CID 125421319

IUPAC5-bromo-3-(piperazin-1-ylmethyl)-2H-indole
SMILESBrc1ccc2c(c1)=C(CN1CCNCC1)CN=2
InChIInChI=1S/C13H16BrN3/c14-11-1-2-13-12(7-11)10(8-16-13)9-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8-9H2
InChIKeyWATLYIZZNHUQBY-UHFFFAOYSA-N
MW294.20 g/mol
LogP0.14
Rot. Bonds2

About 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole

5-bromo-3-(piperazin-1-ylmethyl)-2H-indole (PubChem CID 125421319) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole.

Molecular Properties

Compound Name5-bromo-3-(piperazin-1-ylmethyl)-2H-indole
PubChem CID125421319
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-bromo-3-(piperazin-1-ylmethyl)-2H-indole
SMILESBrc1ccc2c(c1)=C(CN1CCNCC1)CN=2
InChIInChI=1S/C13H16BrN3/c14-11-1-2-13-12(7-11)10(8-16-13)9-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8-9H2
InChIKeyWATLYIZZNHUQBY-UHFFFAOYSA-N
XLogP0.14
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(piperazin-1-ylmethyl)-1H-indole
CID 117176636
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(6-bromo-1-benzothiophen-2-yl)methyl]piperazine
CID 82667803
1-[(5-bromo-1-benzothiophen-3-yl)methyl]piperazine
CID 117174683
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834329
1-[[1-(4-bromo-2-methylphenyl)pyrazol-4-yl]methyl]piperazine
CID 84610405
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
1-[(2-bromocyclopenten-1-yl)methyl]piperazine
CID 91483649
dibromocobalt;1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine
CID 154596524
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 120834328
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole?
The IUPAC name of 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole (CID 125421319) is 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole.
What is the SMILES notation for 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole?
The canonical SMILES for 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole is Brc1ccc2c(c1)=C(CN1CCNCC1)CN=2.
What is the InChIKey of 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole?
The InChIKey is WATLYIZZNHUQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-11-1-2-13-12(7-11)10(8-16-13)9-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8-9H2.
What are the key properties of 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole?
5-bromo-3-(piperazin-1-ylmethyl)-2H-indole has a molecular weight of 294.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(piperazin-1-ylmethyl)-2H-indole is sourced from PubChem (CID 125421319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).