Basic information
- Standard SMILES
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccccc1- InChIKey
IMUVQMPLHMVUDM-AWEZNQCLSA-N- Molecular formula
- C18H26N2O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.1943427
Names & identifiers
- Preferred name
- Tert-butyl (3s)-3-methyl-4-(phenylacetyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl (3S)-3-methyl-4-(2-phenylacetyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL1715049IMUVQMPLHMVUDM-AWEZNQCLSA-Ntert-butyl (3s)-3-methyl-4-(phenylacetyl)piperazine-1-carboxylate888972-54-1DB-3215213-Methyl-4-(phenylacetyl)-(3S)-1-piperazinecarboxylic Acid, 1,1-dimethylethyl Ester
Database identifiers
- PubChem CID
- 67131985
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Related reactions
1 records
Compound notes
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