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

C17H25N3 — CID 83949052

IUPAC1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
SMILESCCn1cc(CCN2CCNCC2)c2cc(C)ccc21
InChIInChI=1S/C17H25N3/c1-3-20-13-15(6-9-19-10-7-18-8-11-19)16-12-14(2)4-5-17(16)20/h4-5,12-13,18H,3,6-11H2,1-2H3
InChIKeyRBFSDTARUGFCLK-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.42
Rot. Bonds4

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

1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole (PubChem CID 83949052) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole.

Molecular Properties

Compound Name1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
PubChem CID83949052
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
SMILESCCn1cc(CCN2CCNCC2)c2cc(C)ccc21
InChIInChI=1S/C17H25N3/c1-3-20-13-15(6-9-19-10-7-18-8-11-19)16-12-14(2)4-5-17(16)20/h4-5,12-13,18H,3,6-11H2,1-2H3
InChIKeyRBFSDTARUGFCLK-UHFFFAOYSA-N
XLogP2.42
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanamine
CID 83948925
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058
1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
CID 83948952
methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
CID 83949055
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
1-ethyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117175487
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948919
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
2-[5,6-dimethyl-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947403
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole?
The IUPAC name of 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole (CID 83949052) is 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole.
What is the SMILES notation for 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole?
The canonical SMILES for 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole is CCn1cc(CCN2CCNCC2)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole?
The InChIKey is RBFSDTARUGFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-20-13-15(6-9-19-10-7-18-8-11-19)16-12-14(2)4-5-17(16)20/h4-5,12-13,18H,3,6-11H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole?
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole has a molecular weight of 271.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole is sourced from PubChem (CID 83949052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).