1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole

C18H27N3 — CID 83948952

IUPAC1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
SMILESCCn1cc(CCN2CCNCC2)c2cc(C)cc(C)c21
InChIInChI=1S/C18H27N3/c1-4-21-13-16(5-8-20-9-6-19-7-10-20)17-12-14(2)11-15(3)18(17)21/h11-13,19H,4-10H2,1-3H3
InChIKeyMWMAASDRVRUVJV-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.73
Rot. Bonds4

About 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole

1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole (PubChem CID 83948952) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole.

Molecular Properties

Compound Name1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
PubChem CID83948952
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
SMILESCCn1cc(CCN2CCNCC2)c2cc(C)cc(C)c21
InChIInChI=1S/C18H27N3/c1-4-21-13-16(5-8-20-9-6-19-7-10-20)17-12-14(2)11-15(3)18(17)21/h11-13,19H,4-10H2,1-3H3
InChIKeyMWMAASDRVRUVJV-UHFFFAOYSA-N
XLogP2.73
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948919
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391
2-[5,6-dimethyl-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947403
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058
1-ethyl-3-(3-piperazin-1-ylpropyl)indole-7-carboxylic acid
CID 83947745
3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948572
1-butyl-5,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948856

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole?
The IUPAC name of 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole (CID 83948952) is 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole.
What is the SMILES notation for 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole?
The canonical SMILES for 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole is CCn1cc(CCN2CCNCC2)c2cc(C)cc(C)c21.
What is the InChIKey of 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole?
The InChIKey is MWMAASDRVRUVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-21-13-16(5-8-20-9-6-19-7-10-20)17-12-14(2)11-15(3)18(17)21/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole?
1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole has a molecular weight of 285.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole is sourced from PubChem (CID 83948952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).