1,3-Indandione, 2-(2-(4-(o-chlorophenyl)-1-piperazinyl)ethyl)-2-methyl-
Basic information
- CAS
21662-82-8- Standard SMILES
CC1(CCN2CCN(c3ccccc3Cl)CC2)C(=O)c2ccccc2C1=O- InChIKey
OKCLHDJYSHIIMU-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2O2
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 382.1448057
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(2-(4-(o-chlorophenyl)-1-piperazinyl)ethyl)-2-methyl-
- IUPAC
- 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2-methylindene-1,3-dione
- English name
- 2-[2-[4-(o-Chlorophenyl)-1-piperazinyl]ethyl]-2-methyl-1,3-indanedione
- Molecular formula
- C22H23ClN2O2
- Molecular weight
- 382.88
Names & synonyms
21662-82-8BRN 08497621,3-Indandione, 2-(2-(4-(o-chlorophenyl)-1-piperazinyl)ethyl)-2-methyl-DTXSID101760482-(2-(4-(o-Chlorophenyl)-1-piperazinyl)ethyl)-2-methyl-indandione-1,35-23-02-00235 (Beilstein Handbook Reference)RefChem:219268DTXCID70985392-{2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl}-2-methyl-1h-indene-1,3(2h)-dione2,5-Di(thiophen-2-yl)thiazole2-[2-[4-(o-Chlorophenyl)-1-piperazinyl]ethyl]-2-methyl-1,3-indanedione1H-Indene-1,3(2H)-dione, 2-[2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl]-2-methyl-
Database identifiers
- CAS
21662-82-8- PubChem CID
- 210801
- DTXSID
DTXSID10176048- Nikkaji
- J127.622K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Boiling point
- 540.8 · 540.8±50.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 7.01 · 7.01±0.10(Predicted)
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Related reactions
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Compound notes
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