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

C14H18BrN3 — CID 117493145

IUPAC3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
SMILESBrc1c[nH]c2c(CCN3CCNCC3)cccc12
InChIInChI=1S/C14H18BrN3/c15-13-10-17-14-11(2-1-3-12(13)14)4-7-18-8-5-16-6-9-18/h1-3,10,16-17H,4-9H2
InChIKeySARFLDCGCZMNBH-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.38
Rot. Bonds3

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

3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole (PubChem CID 117493145) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
PubChem CID117493145
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
SMILESBrc1c[nH]c2c(CCN3CCNCC3)cccc12
InChIInChI=1S/C14H18BrN3/c15-13-10-17-14-11(2-1-3-12(13)14)4-7-18-8-5-16-6-9-18/h1-3,10,16-17H,4-9H2
InChIKeySARFLDCGCZMNBH-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

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Related Compounds

5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
3-chloro-1-methyl-7-(2-piperazin-1-ylethyl)indole
CID 117445345
7-bromo-3-methyl-2-(2-piperazin-1-ylethyl)-1H-indole
CID 82667842
1-methyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83947755
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
1-methyl-7-(2-piperazin-1-ylethyl)indole
CID 117360826
1-[2-(2-bromothiophen-3-yl)ethyl]piperazine
CID 82667485
1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
CID 84712711
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole (CID 117493145) is 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole is Brc1c[nH]c2c(CCN3CCNCC3)cccc12.
What is the InChIKey of 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole?
The InChIKey is SARFLDCGCZMNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c15-13-10-17-14-11(2-1-3-12(13)14)4-7-18-8-5-16-6-9-18/h1-3,10,16-17H,4-9H2.
What are the key properties of 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole?
3-bromo-7-(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 3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 117493145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).