2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole

C15H23N3 — CID 70219436

IUPAC2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole
SMILESCCN1CCN(C)CC1N1Cc2ccccc2C1
InChIInChI=1S/C15H23N3/c1-3-17-9-8-16(2)12-15(17)18-10-13-6-4-5-7-14(13)11-18/h4-7,15H,3,8-12H2,1-2H3
InChIKeyLXKXFNZVUBQGRO-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.60
Rot. Bonds2

About 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole

2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole (PubChem CID 70219436) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole
PubChem CID70219436
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole
SMILESCCN1CCN(C)CC1N1Cc2ccccc2C1
InChIInChI=1S/C15H23N3/c1-3-17-9-8-16(2)12-15(17)18-10-13-6-4-5-7-14(13)11-18/h4-7,15H,3,8-12H2,1-2H3
InChIKeyLXKXFNZVUBQGRO-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole (CID 70219436) is 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole is CCN1CCN(C)CC1N1Cc2ccccc2C1.
What is the InChIKey of 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole?
The InChIKey is LXKXFNZVUBQGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-17-9-8-16(2)12-15(17)18-10-13-6-4-5-7-14(13)11-18/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole?
2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole has a molecular weight of 245.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methylpiperazin-2-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 70219436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).