6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole

C15H21N3O — CID 90742823

IUPAC6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole
SMILESCN1CCN(CCOc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C15H21N3O/c1-17-6-8-18(9-7-17)10-11-19-14-3-2-13-4-5-16-15(13)12-14/h2-5,12,16H,6-11H2,1H3
InChIKeyHSMIBFPAOHFEEK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.79
Rot. Bonds4

About 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole

6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole (PubChem CID 90742823) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole.

Molecular Properties

Compound Name6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole
PubChem CID90742823
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole
SMILESCN1CCN(CCOc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C15H21N3O/c1-17-6-8-18(9-7-17)10-11-19-14-3-2-13-4-5-16-15(13)12-14/h2-5,12,16H,6-11H2,1H3
InChIKeyHSMIBFPAOHFEEK-UHFFFAOYSA-N
XLogP1.79
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(4-methylpiperazin-1-yl)ethoxy]-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

7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole
CID 91088145
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone
CID 90683533
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 118271335
potassium trifluoro-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
CID 82892009
8-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
CID 141044989
1-methyl-6-(2-piperazin-1-ylethoxy)indole
CID 155176364

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole?
The IUPAC name of 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole (CID 90742823) is 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole.
What is the SMILES notation for 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole?
The canonical SMILES for 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole is CN1CCN(CCOc2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole?
The InChIKey is HSMIBFPAOHFEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-6-8-18(9-7-17)10-11-19-14-3-2-13-4-5-16-15(13)12-14/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole?
6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole has a molecular weight of 259.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole is sourced from PubChem (CID 90742823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).