Basic information
- Standard SMILES
CC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(O)C(N)Cc2ccccc2)C1- InChIKey
PZQVLNUNIFRZLX-UHFFFAOYSA-N- Molecular formula
- C20H31N3O4
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.23145648
Names & identifiers
- Preferred name
- Tert-butyl 4-acetyl-2-(2-amino-1-hydroxy-3-phenylpropyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-acetyl-2-(2-amino-1-hydroxy-3-phenylpropyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL4358142
Database identifiers
- PubChem CID
- 69015142
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
1 records
Compound notes
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