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

C15H23N3 — CID 117029756

IUPAC2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
SMILESCN1CCNC(CCN2Cc3ccccc3C2)C1
InChIInChI=1S/C15H23N3/c1-17-9-7-16-15(12-17)6-8-18-10-13-4-2-3-5-14(13)11-18/h2-5,15-16H,6-12H2,1H3
InChIKeyKMQBGXRVRUAPLZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.30
Rot. Bonds3

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

2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole (PubChem CID 117029756) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
PubChem CID117029756
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
SMILESCN1CCNC(CCN2Cc3ccccc3C2)C1
InChIInChI=1S/C15H23N3/c1-17-9-7-16-15(12-17)6-8-18-10-13-4-2-3-5-14(13)11-18/h2-5,15-16H,6-12H2,1H3
InChIKeyKMQBGXRVRUAPLZ-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylpiperazin-2-yl)ethyl]-3H-isoindol-1-one
CID 117030142
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408872
1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 116928299
3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-methylpiperazine
CID 116991614
2-[2-(azetidin-3-yl)ethyl]-1,3-dihydroisoindole
CID 116679908
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
CID 117029785
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 59060023
1-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-4-amine
CID 115239353
N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole (CID 117029756) is 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole is CN1CCNC(CCN2Cc3ccccc3C2)C1.
What is the InChIKey of 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole?
The InChIKey is KMQBGXRVRUAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-9-7-16-15(12-17)6-8-18-10-13-4-2-3-5-14(13)11-18/h2-5,15-16H,6-12H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole?
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole has a molecular weight of 245.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole is sourced from PubChem (CID 117029756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).