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

C14H18BrN3 — CID 82277470

IUPAC5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(CCN3CCNCC3)c2c1
InChIInChI=1S/C14H18BrN3/c15-12-1-2-14-13(9-12)11(10-17-14)3-6-18-7-4-16-5-8-18/h1-2,9-10,16-17H,3-8H2
InChIKeyUTHFUUJWLXMRIM-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.38
Rot. Bonds3

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

5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole (PubChem CID 82277470) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
PubChem CID82277470
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
SMILESBrc1ccc2[nH]cc(CCN3CCNCC3)c2c1
InChIInChI=1S/C14H18BrN3/c15-12-1-2-14-13(9-12)11(10-17-14)3-6-18-7-4-16-5-8-18/h1-2,9-10,16-17H,3-8H2
InChIKeyUTHFUUJWLXMRIM-UHFFFAOYSA-N
XLogP2.38
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
CID 117493145
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole (CID 82277470) is 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole is Brc1ccc2[nH]cc(CCN3CCNCC3)c2c1.
What is the InChIKey of 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole?
The InChIKey is UTHFUUJWLXMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c15-12-1-2-14-13(9-12)11(10-17-14)3-6-18-7-4-16-5-8-18/h1-2,9-10,16-17H,3-8H2.
What are the key properties of 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole?
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole has a molecular weight of 308.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 82277470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).