(S)-tert-Butyl 3-(benzo[d][1,3]dioxol-5-yl)piperazine-1-carboxylate
Basic information
- CAS
1241678-08-9- Standard SMILES
CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc3c(c2)OCO3)C1- InChIKey
XLPLNERULMLZNH-GFCCVEGCSA-N- Molecular formula
- C16H22N2O4
- Average molar mass
- 306.36 g/mol
- Monoisotopic mass
- 306.15795719
Names & identifiers
- Preferred name
- (S)-tert-Butyl 3-(benzo[d][1,3]dioxol-5-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl (3S)-3-(1,3-benzodioxol-5-yl)piperazine-1-carboxylate
Names & synonyms
1241678-08-9DTXSID001152202(S)-tert-Butyl 3-(benzo[d][1,3]dioxol-5-yl)piperazine-1-carboxylate1,1-Dimethylethyl (3S)-3-(1,3-benzodioxol-5-yl)-1-piperazinecarboxylatetert-Butyl (3S)-3-(2H-1,3-benzodioxol-5-yl)piperazine-1-carboxylate
Database identifiers
- CAS
1241678-08-9- PubChem CID
- 40639072
- DTXSID
DTXSID001152202
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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