Basic information
- CAS
111752-27-3- Standard SMILES
O=C(c1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1- InChIKey
QISMLKNMDLKKCQ-UHFFFAOYSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.17869263
Names & identifiers
- Preferred name
- [4-(2-Hydroxy-3-phenoxypropyl)-1-piperazinyl]phenylmethanone
- IUPAC
- [4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-phenylmethanone
Names & synonyms
Oprea1_283040Oprea1_375254[4-(2-Hydroxy-3-phenoxypropyl)-1-piperazinyl]phenylmethanoneDTXSID601186562AKOS008570721111752-27-3[4-(2-Hydroxy-3-phenoxypropyl)piperazin-1-yl](phenyl)methanone
Database identifiers
- CAS
111752-27-3- PubChem CID
- 4561002
- DTXSID
DTXSID601186562
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…