Basic information
- CAS
112257-40-6- Standard SMILES
NOCC(=O)N1CCN(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1- InChIKey
PYXJMUBHQWOUIA-UHFFFAOYSA-N- Molecular formula
- C27H31N3O3
- Average molar mass
- 445.6 g/mol
- Monoisotopic mass
- 445.23654186
Names & identifiers
- Preferred name
- 2-(Aminooxy)-1-[4-[2-(triphenylmethoxy)ethyl]-1-piperazinyl]ethanone
- IUPAC
- 2-aminooxy-1-[4-(2-trityloxyethyl)piperazin-1-yl]ethanone
Names & synonyms
DTXSID301159590112257-40-62-(Aminooxy)-1-[4-[2-(triphenylmethoxy)ethyl]-1-piperazinyl]ethanone2-(Aminooxy)-1-{4-[2-(triphenylmethoxy)ethyl]piperazin-1-yl}ethan-1-one
Database identifiers
- CAS
112257-40-6- PubChem CID
- 85538641
- DTXSID
DTXSID301159590
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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