Basic information
- CAS
126921-49-1- Standard SMILES
Cc1ccccc1N1CCN(CCc2nccc3ccccc23)CC1- InChIKey
JTQXKNXBXKRQFO-UHFFFAOYSA-N- Molecular formula
- C22H25N3
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.20484781
Names & identifiers
- Preferred name
- Isoquinoline, 1-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-
- IUPAC
- 1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]isoquinoline
Names & synonyms
126921-49-1BRN 4544653Isoquinoline, 1-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-1-(2-(4-(2-Methylphenyl)-1-piperazinyl)ethyl)isoquinolineDTXSID30155335RefChem:349971DTXCID30778261-(2-(4-(o-Tolyl)piperazin-1-yl)ethyl)isoquinoline1-{2-[4-(2-METHYLPHENYL)PIPERAZIN-1-YL]ETHYL}ISOQUINOLINE
Database identifiers
- CAS
126921-49-1- PubChem CID
- 3080025
- DTXSID
DTXSID30155335
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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