Basic information
- Standard SMILES
CN1CCN(c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1- InChIKey
QUQJISRIIQCPJT-UHFFFAOYSA-N- Molecular formula
- C18H27N3O2
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- 5-(4-Methyl-piperazin-1-yl)-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindole-2-carboxylate
Names & synonyms
SCHEMBL383293QUQJISRIIQCPJT-UHFFFAOYSA-N5-(4-Methyl-piperazin-1-yl)-1,3-dihydro-isoindole-2-carboxylic acid tert-butyl ester913000-37-0DA-38579
Database identifiers
- PubChem CID
- 59263131
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Related reactions
17 records
Compound notes
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