1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole

C18H27N3O — CID 83949003

IUPAC1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
SMILESCCn1cc(CCCN2CCNCC2)c2ccc(OC)cc21
InChIInChI=1S/C18H27N3O/c1-3-21-14-15(5-4-10-20-11-8-19-9-12-20)17-7-6-16(22-2)13-18(17)21/h6-7,13-14,19H,3-5,8-12H2,1-2H3
InChIKeyBFTKGTYMXMCLKZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.51
Rot. Bonds6

About 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole

1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 83949003) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
PubChem CID83949003
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
SMILESCCn1cc(CCCN2CCNCC2)c2ccc(OC)cc21
InChIInChI=1S/C18H27N3O/c1-3-21-14-15(5-4-10-20-11-8-19-9-12-20)17-7-6-16(22-2)13-18(17)21/h6-7,13-14,19H,3-5,8-12H2,1-2H3
InChIKeyBFTKGTYMXMCLKZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
CID 83947668
2-[6-methoxy-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947673
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
CID 83941550
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948856
1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948919
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665
1-ethyl-3-(3-piperazin-1-ylpropyl)indole-7-carboxylic acid
CID 83947745

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole (CID 83949003) is 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole is CCn1cc(CCCN2CCNCC2)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is BFTKGTYMXMCLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-21-14-15(5-4-10-20-11-8-19-9-12-20)17-7-6-16(22-2)13-18(17)21/h6-7,13-14,19H,3-5,8-12H2,1-2H3.
What are the key properties of 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole?
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 301.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 83949003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).