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

C15H21N3O — CID 84637869

IUPAC6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCOc1ccc2c(CC3CNCCN3C)c[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-18-6-5-16-10-12(18)7-11-9-17-15-8-13(19-2)3-4-14(11)15/h3-4,8-9,12,16-17H,5-7,10H2,1-2H3
InChIKeyKPNFPAFJSQYYNR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.62
Rot. Bonds3

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

6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole (PubChem CID 84637869) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
PubChem CID84637869
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCOc1ccc2c(CC3CNCCN3C)c[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-18-6-5-16-10-12(18)7-11-9-17-15-8-13(19-2)3-4-14(11)15/h3-4,8-9,12,16-17H,5-7,10H2,1-2H3
InChIKeyKPNFPAFJSQYYNR-UHFFFAOYSA-N
XLogP1.62
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-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

6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
6-methoxy-2-methyl-3-(1-methylpiperazin-2-yl)-1H-indole
CID 84637866
2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84630870
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116941744
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
CID 116928083
2-bromo-1,6-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84646607

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The IUPAC name of 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole (CID 84637869) is 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The canonical SMILES for 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole is COc1ccc2c(CC3CNCCN3C)c[nH]c2c1.
What is the InChIKey of 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
The InChIKey is KPNFPAFJSQYYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-6-5-16-10-12(18)7-11-9-17-15-8-13(19-2)3-4-14(11)15/h3-4,8-9,12,16-17H,5-7,10H2,1-2H3.
What are the key properties of 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole?
6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole has a molecular weight of 259.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 84637869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).