Basic information
- Standard SMILES
C[C@H]1CN[C@H](c2ccccc2)CN1C(=O)OC(C)(C)C- InChIKey
JCGKNAFPLNQLDQ-JSGCOSHPSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- trans-2-Methyl-5-phenyl-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL14813848JCGKNAFPLNQLDQ-JSGCOSHPSA-Ntrans-2-Methyl-5-phenyl-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 40639181
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
2 records
Compound notes
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