2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole

C15H23N3 — CID 70171773

IUPAC2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole
SMILESCCN1CCN(N2Cc3ccc(C)cc3C2)CC1
InChIInChI=1S/C15H23N3/c1-3-16-6-8-17(9-7-16)18-11-14-5-4-13(2)10-15(14)12-18/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyGJCBWFWIKVSHHC-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.86
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole

2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole (PubChem CID 70171773) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole
PubChem CID70171773
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole
SMILESCCN1CCN(N2Cc3ccc(C)cc3C2)CC1
InChIInChI=1S/C15H23N3/c1-3-16-6-8-17(9-7-16)18-11-14-5-4-13(2)10-15(14)12-18/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyGJCBWFWIKVSHHC-UHFFFAOYSA-N
XLogP1.86
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-Dimethylphenyl)methyl]-4-methylpiperazine
CID 791382
2-(2-(Diethylamino)ethyl)-isoindoline
CID 52573
1-(2,4,6-Trimethylbenzyl)piperazine
CID 2737385
N-(9H-fluoren-2-ylmethyl)-N,N',N'-trimethyl-1,2-ethanediamine
CID 782097
1-ethyl-4-(9H-fluoren-2-ylmethyl)piperazine
CID 1375624
1-Ethyl-4-[(2-methylphenyl)methyl]piperazine
CID 785751
1-[(2,4-Dimethylphenyl)methyl]-4-ethylpiperazine
CID 792360
2-Hexylisoindoline hydrobromide
CID 6602811
Benz(f)isoindoline, 2-ethyl-, hydrobromide
CID 3045452
1-(2,5-Dimethyl-benzyl)piperazine
CID 2758541
5-methyl-2,3-dihydro-1H-isoindole
CID 23091937
4-Methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-4-ium iodide
CID 137642243

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole (CID 70171773) is 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole is CCN1CCN(N2Cc3ccc(C)cc3C2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole?
The InChIKey is GJCBWFWIKVSHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-16-6-8-17(9-7-16)18-11-14-5-4-13(2)10-15(14)12-18/h4-5,10H,3,6-9,11-12H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole?
2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole has a molecular weight of 245.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 70171773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).