7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole

C15H20BrN3 — CID 82667842

IUPAC7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole
SMILESCc1c(CCN2CCNCC2)[nH]c2c(Br)cccc12
InChIInChI=1S/C15H20BrN3/c1-11-12-3-2-4-13(16)15(12)18-14(11)5-8-19-9-6-17-7-10-19/h2-4,17-18H,5-10H2,1H3
InChIKeySLPGQZRXBXTZMT-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.69
Rot. Bonds3

About 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole

7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole (PubChem CID 82667842) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole
PubChem CID82667842
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole
SMILESCc1c(CCN2CCNCC2)[nH]c2c(Br)cccc12
InChIInChI=1S/C15H20BrN3/c1-11-12-3-2-4-13(16)15(12)18-14(11)5-8-19-9-6-17-7-10-19/h2-4,17-18H,5-10H2,1H3
InChIKeySLPGQZRXBXTZMT-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
CID 117493145
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
N-(3-bromo-2-methylphenyl)-2-piperazin-1-ylethanesulfonamide
CID 107626682
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline
CID 117029360
8-bromo-3-(2-piperazin-1-ylethyl)imidazo[1,5-a]pyridine
CID 84744350
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole (CID 82667842) is 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole is Cc1c(CCN2CCNCC2)[nH]c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole?
The InChIKey is SLPGQZRXBXTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-11-12-3-2-4-13(16)15(12)18-14(11)5-8-19-9-6-17-7-10-19/h2-4,17-18H,5-10H2,1H3.
What are the key properties of 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole?
7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole has a molecular weight of 322.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 82667842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).