Basic information
- CAS
62211-13-6- Standard SMILES
C[C@@H]1CN(C(=O)c2ccccc2)[C@@H](C)CN1C(=O)c1ccccc1- InChIKey
HMEKMMQTCKTXIA-IYBDPMFKSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812795
Names & identifiers
- Preferred name
- trans-2,4-Dibenzoylpiperazine
- IUPAC
- [(2S,5R)-4-benzoyl-2,5-dimethylpiperazin-1-yl]-phenylmethanone
Names & synonyms
trans-2,4-dibenzoylpiperazineNSC8703162211-13-6NSC-87031Piperazine,4-dibenzoyl-2,5-dimethyl-, trans-
Database identifiers
- CAS
62211-13-6- PubChem CID
- 258249
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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