1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole

C21H33N3 — CID 83948856

IUPAC1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCCCCn1cc(CCCN2CCNCC2)c2cc(C)c(C)cc21
InChIInChI=1S/C21H33N3/c1-4-5-11-24-16-19(7-6-10-23-12-8-22-9-13-23)20-14-17(2)18(3)15-21(20)24/h14-16,22H,4-13H2,1-3H3
InChIKeySOENFWTUAIKFLU-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.90
Rot. Bonds7

About 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole

1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 83948856) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
PubChem CID83948856
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCCCCn1cc(CCCN2CCNCC2)c2cc(C)c(C)cc21
InChIInChI=1S/C21H33N3/c1-4-5-11-24-16-19(7-6-10-23-12-8-22-9-13-23)20-14-17(2)18(3)15-21(20)24/h14-16,22H,4-13H2,1-3H3
InChIKeySOENFWTUAIKFLU-UHFFFAOYSA-N
XLogP3.90
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947404
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
2-[5,6-dimethyl-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947403
1-butyl-3-(2-piperazin-1-ylethyl)indole-6-carboxylic acid
CID 83948094
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
CID 83944350
1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948919
1-butyl-5-methyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947013
2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
CID 83947668
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
CID 83949055

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole (CID 83948856) is 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole is CCCCn1cc(CCCN2CCNCC2)c2cc(C)c(C)cc21.
What is the InChIKey of 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is SOENFWTUAIKFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-4-5-11-24-16-19(7-6-10-23-12-8-22-9-13-23)20-14-17(2)18(3)15-21(20)24/h14-16,22H,4-13H2,1-3H3.
What are the key properties of 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole?
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 327.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 83948856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).