5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole

C15H20BrN3 — CID 171290931

IUPAC5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
SMILESCC[C@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1
InChIInChI=1S/C15H20BrN3/c1-2-15(19-7-5-17-6-8-19)13-10-18-14-4-3-11(16)9-12(13)14/h3-4,9-10,15,17-18H,2,5-8H2,1H3/t15-/m1/s1
InChIKeyPVRAGSUILJEODD-OAHLLOKOSA-N
MW322.25 g/mol
LogP3.29
Rot. Bonds3

About 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole

5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole (PubChem CID 171290931) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
PubChem CID171290931
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
SMILESCC[C@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1
InChIInChI=1S/C15H20BrN3/c1-2-15(19-7-5-17-6-8-19)13-10-18-14-4-3-11(16)9-12(13)14/h3-4,9-10,15,17-18H,2,5-8H2,1H3/t15-/m1/s1
InChIKeyPVRAGSUILJEODD-OAHLLOKOSA-N
XLogP3.29
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-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-bromo-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171278306
5-bromo-3-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171290940
5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310197
5-bromo-3-[(1S)-3-methyl-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171278337
5-bromo-3-[(1R)-1-piperazin-1-ylhexyl]-1H-indole;dihydrochloride
CID 171307876
(3R)-3-(5-bromo-1H-indol-3-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306846
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731
5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171273725
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
5-bromo-3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole
CID 171278338
5-bromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290964
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole (CID 171290931) is 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole is CC[C@H](c1c[nH]c2ccc(Br)cc12)N1CCNCC1.
What is the InChIKey of 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole?
The InChIKey is PVRAGSUILJEODD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-2-15(19-7-5-17-6-8-19)13-10-18-14-4-3-11(16)9-12(13)14/h3-4,9-10,15,17-18H,2,5-8H2,1H3/t15-/m1/s1.
What are the key properties of 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole?
5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole has a molecular weight of 322.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole is sourced from PubChem (CID 171290931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).