2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol

C18H27N3O2 — CID 83947668

IUPAC2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
SMILESCOc1ccc2c(CCCN3CCNCC3)cn(CCO)c2c1
InChIInChI=1S/C18H27N3O2/c1-23-16-4-5-17-15(14-21(11-12-22)18(17)13-16)3-2-8-20-9-6-19-7-10-20/h4-5,13-14,19,22H,2-3,6-12H2,1H3
InChIKeyGHKSCOHVZVZDIT-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.48
Rot. Bonds7

About 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol

2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol (PubChem CID 83947668) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
PubChem CID83947668
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
SMILESCOc1ccc2c(CCCN3CCNCC3)cn(CCO)c2c1
InChIInChI=1S/C18H27N3O2/c1-23-16-4-5-17-15(14-21(11-12-22)18(17)13-16)3-2-8-20-9-6-19-7-10-20/h4-5,13-14,19,22H,2-3,6-12H2,1H3
InChIKeyGHKSCOHVZVZDIT-UHFFFAOYSA-N
XLogP1.48
TPSA49.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
2-[6-methoxy-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947673
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
2-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
CID 83941550
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948856
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
1-butyl-3-(2-piperazin-1-ylethyl)indole-6-carboxylic acid
CID 83948094

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol?
The IUPAC name of 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol (CID 83947668) is 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol.
What is the SMILES notation for 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol?
The canonical SMILES for 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol is COc1ccc2c(CCCN3CCNCC3)cn(CCO)c2c1.
What is the InChIKey of 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol?
The InChIKey is GHKSCOHVZVZDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-16-4-5-17-15(14-21(11-12-22)18(17)13-16)3-2-8-20-9-6-19-7-10-20/h4-5,13-14,19,22H,2-3,6-12H2,1H3.
What are the key properties of 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol?
2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol has a molecular weight of 317.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol is sourced from PubChem (CID 83947668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).