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

C15H21N3 — CID 82279050

IUPAC2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
SMILESCc1[nH]c2ccccc2c1CCN1CCNCC1
InChIInChI=1S/C15H21N3/c1-12-13(6-9-18-10-7-16-8-11-18)14-4-2-3-5-15(14)17-12/h2-5,16-17H,6-11H2,1H3
InChIKeyGDGPACXUXPJRGF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.92
Rot. Bonds3

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

2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole (PubChem CID 82279050) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
PubChem CID82279050
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
SMILESCc1[nH]c2ccccc2c1CCN1CCNCC1
InChIInChI=1S/C15H21N3/c1-12-13(6-9-18-10-7-16-8-11-18)14-4-2-3-5-15(14)17-12/h2-5,16-17H,6-11H2,1H3
InChIKeyGDGPACXUXPJRGF-UHFFFAOYSA-N
XLogP1.92
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.92
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

8-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 15071480
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 95474523
2,6-dimethyl-3-(2-piperazin-1-ylethyl)-1H-indole-7-carboxylic acid
CID 83947397
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 707361
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 901181
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine
CID 166312968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole (CID 82279050) is 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole is Cc1[nH]c2ccccc2c1CCN1CCNCC1.
What is the InChIKey of 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole?
The InChIKey is GDGPACXUXPJRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-13(6-9-18-10-7-16-8-11-18)14-4-2-3-5-15(14)17-12/h2-5,16-17H,6-11H2,1H3.
What are the key properties of 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole?
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 82279050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).