6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole

C15H21N3O — CID 84637870

IUPAC6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
SMILESCOc1ccc2c(CC3CNCCN3)cn(C)c2c1
InChIInChI=1S/C15H21N3O/c1-18-10-11(7-12-9-16-5-6-17-12)14-4-3-13(19-2)8-15(14)18/h3-4,8,10,12,16-17H,5-7,9H2,1-2H3
InChIKeyDPJQNDUKRTZIBW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.29
Rot. Bonds3

About 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole

6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole (PubChem CID 84637870) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole.

Molecular Properties

Compound Name6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
PubChem CID84637870
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
SMILESCOc1ccc2c(CC3CNCCN3)cn(C)c2c1
InChIInChI=1S/C15H21N3O/c1-18-10-11(7-12-9-16-5-6-17-12)14-4-3-13(19-2)8-15(14)18/h3-4,8,10,12,16-17H,5-7,9H2,1-2H3
InChIKeyDPJQNDUKRTZIBW-UHFFFAOYSA-N
XLogP1.29
TPSA38.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
2-[(6-methoxynaphthalen-2-yl)methyl]piperazine
CID 116825348
1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole
CID 84636749
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 70328373
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
2-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 116825296
6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
(3R,8aR)-2-[(6-methoxy-1-methylindol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792219
2-[(5-bromo-2-fluorophenyl)methyl]piperazine
CID 116825334
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole?
The IUPAC name of 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole (CID 84637870) is 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole.
What is the SMILES notation for 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole?
The canonical SMILES for 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole is COc1ccc2c(CC3CNCCN3)cn(C)c2c1.
What is the InChIKey of 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole?
The InChIKey is DPJQNDUKRTZIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-10-11(7-12-9-16-5-6-17-12)14-4-3-13(19-2)8-15(14)18/h3-4,8,10,12,16-17H,5-7,9H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole?
6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole has a molecular weight of 259.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole is sourced from PubChem (CID 84637870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).