Basic information
- Standard SMILES
CN1CCN(c2cccc(C(=O)OC(C)(C)C)c2)CC1- InChIKey
SZZVKMSUCFMGFQ-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
Names & identifiers
- Preferred name
- 3-(4-Methylpiperazinyl)-benzoic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(4-methylpiperazin-1-yl)benzoate
Names & synonyms
SCHEMBL6619439SZZVKMSUCFMGFQ-UHFFFAOYSA-N3-(4-methylpiperazinyl)-benzoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 54333530
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Related reactions
2 records
Compound notes
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