6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole

C15H21N3O — CID 84637866

IUPAC6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole
SMILESCOc1ccc2c(C3CNCCN3C)c(C)[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-10-15(14-9-16-6-7-18(14)2)12-5-4-11(19-3)8-13(12)17-10/h4-5,8,14,16-17H,6-7,9H2,1-3H3
InChIKeyNWOFARIMPUEFPT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.06
Rot. Bonds2

About 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole

6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole (PubChem CID 84637866) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole
PubChem CID84637866
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole
SMILESCOc1ccc2c(C3CNCCN3C)c(C)[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-10-15(14-9-16-6-7-18(14)2)12-5-4-11(19-3)8-13(12)17-10/h4-5,8,14,16-17H,6-7,9H2,1-3H3
InChIKeyNWOFARIMPUEFPT-UHFFFAOYSA-N
XLogP2.06
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-2-methyl-1H-indol-3-yl)morpholine
CID 82622747
6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
CID 84637869
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
CID 82305382
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82665869
5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole
CID 82666813
9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
CID 23456506
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
CID 82665866
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole?
The IUPAC name of 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole (CID 84637866) is 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole.
What is the SMILES notation for 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole?
The canonical SMILES for 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole is COc1ccc2c(C3CNCCN3C)c(C)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole?
The InChIKey is NWOFARIMPUEFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-15(14-9-16-6-7-18(14)2)12-5-4-11(19-3)8-13(12)17-10/h4-5,8,14,16-17H,6-7,9H2,1-3H3.
What are the key properties of 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole?
6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole has a molecular weight of 259.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole is sourced from PubChem (CID 84637866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).