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Basic information
- CAS
477220-35-2- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1CC=O- InChIKey
JDLGPEFVTLRBOQ-INIZCTEOSA-N- Molecular formula
- C18H26N2O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.19434269
Names & identifiers
- Preferred name
- Tert-butyl (S)-4-benzyl-2-(2-oxoethyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl (2S)-4-benzyl-2-(2-oxoethyl)piperazine-1-carboxylate
Names & synonyms
477220-35-2TERT-BUTYL (S)-4-BENZYL-2-(2-OXOETHYL)PIPERAZINE-1-CARBOXYLATESCHEMBL2014083JDLGPEFVTLRBOQ-INIZCTEOSA-NDTXSID301137847tert-butyl (2S)-4-benzyl-2-(2-oxoethyl)piperazine-1-carboxylateTERT-BUTYL(S)-4-BENZYL-2-(2-OXOETHYL)PIPERAZINE-1-CARBOXYLATE(S)-4-Benzyl-2-(2-oxo-ethyl)-piperazine-1-carboxylic acid tert-butyl ester1,1-Dimethylethyl (2S)-2-(2-oxoethyl)-4-(phenylmethyl)-1-piperazinecarboxylate
Database identifiers
- CAS
477220-35-2- PubChem CID
- 86600664
- DTXSID
DTXSID301137847
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
2 records
Compound notes
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