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

C13H16BrN3 — CID 84644063

IUPAC5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(CC3CNCCN3)c2c1
InChIInChI=1S/C13H16BrN3/c14-10-1-2-13-12(6-10)9(7-17-13)5-11-8-15-3-4-16-11/h1-2,6-7,11,15-17H,3-5,8H2
InChIKeyONJFAZGIGXVVOO-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.03
Rot. Bonds2

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

5-bromo-3-(piperazin-2-ylmethyl)-1H-indole (PubChem CID 84644063) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
PubChem CID84644063
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(CC3CNCCN3)c2c1
InChIInChI=1S/C13H16BrN3/c14-10-1-2-13-12(6-10)9(7-17-13)5-11-8-15-3-4-16-11/h1-2,6-7,11,15-17H,3-5,8H2
InChIKeyONJFAZGIGXVVOO-UHFFFAOYSA-N
XLogP2.03
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
CID 59208274
3-(piperazin-2-ylmethyl)-1H-indole;dihydrochloride
CID 140992063
3-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-ol
CID 84645179
2-[(5-bromo-2-fluorophenyl)methyl]piperazine
CID 116825334
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
(2S)-2-[(4-bromophenyl)methyl]piperazine
CID 69489620
(2S)-2-[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 174210894
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole?
The IUPAC name of 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole (CID 84644063) is 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole is Brc1ccc2[nH]cc(CC3CNCCN3)c2c1.
What is the InChIKey of 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole?
The InChIKey is ONJFAZGIGXVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-10-1-2-13-12(6-10)9(7-17-13)5-11-8-15-3-4-16-11/h1-2,6-7,11,15-17H,3-5,8H2.
What are the key properties of 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole?
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole has a molecular weight of 294.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(piperazin-2-ylmethyl)-1H-indole is sourced from PubChem (CID 84644063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).