1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester)
Basic information
- CAS
149848-13-5- Standard SMILES
O=C(OC(CCN1CCN(CCC(OC(=O)c2ccccc2)c2ccccc2)CC1)c1ccccc1)c1ccccc1- InChIKey
DESSPLIMLYZHPJ-UHFFFAOYSA-N- Molecular formula
- C36H38N2O4
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.2831577
Names & identifiers
- Preferred name
- 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester)
- IUPAC
- [3-[4-(3-benzoyloxy-3-phenylpropyl)piperazin-1-yl]-1-phenylpropyl] benzoate
Names & synonyms
149848-13-51,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester)RefChem:1053378alpha,alpha'-Diphenyl-1,4-piperazinedipropanol dibenzoate (ester)DTXSID40933782(Piperazine-1,4-diyl)bis(1-phenylpropane-3,1-diyl) dibenzoate
Database identifiers
- CAS
149848-13-5- PubChem CID
- 3073544
- DTXSID
DTXSID40933782
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 722
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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