5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole

C16H23N3O — CID 95432828

IUPAC5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
SMILESCOc1ccc2c(c1)c(CCN1CCNCC1)cn2C
InChIInChI=1S/C16H23N3O/c1-18-12-13(5-8-19-9-6-17-7-10-19)15-11-14(20-2)3-4-16(15)18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyXGNYAZFUYPELFK-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.63
Rot. Bonds4

About 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole

5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole (PubChem CID 95432828) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
PubChem CID95432828
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
SMILESCOc1ccc2c(c1)c(CCN1CCNCC1)cn2C
InChIInChI=1S/C16H23N3O/c1-18-12-13(5-8-19-9-6-17-7-10-19)15-11-14(20-2)3-4-16(15)18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyXGNYAZFUYPELFK-UHFFFAOYSA-N
XLogP1.63
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methoxy-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947673
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde
CID 117374187
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83946944
2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
CID 83947668
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058
1,5-dimethyl-3-(2-piperazin-1-ylethyl)indole-6-carboxylic acid
CID 83946995
1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117174991
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 84637267

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole?
The IUPAC name of 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole (CID 95432828) is 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole.
What is the SMILES notation for 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole?
The canonical SMILES for 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole is COc1ccc2c(c1)c(CCN1CCNCC1)cn2C.
What is the InChIKey of 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole?
The InChIKey is XGNYAZFUYPELFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-12-13(5-8-19-9-6-17-7-10-19)15-11-14(20-2)3-4-16(15)18/h3-4,11-12,17H,5-10H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole?
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole has a molecular weight of 273.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole is sourced from PubChem (CID 95432828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).