3'-((2-Hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)acetophenone
Basic information
- CAS
63990-72-7- Standard SMILES
CC(=O)c1cccc(OCC(O)CN2CCC(O)(c3ccccc3)CC2)c1- InChIKey
TWUSOZWGHHLYHF-UHFFFAOYSA-N- Molecular formula
- C22H27NO4
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.19400834
Names & identifiers
- Preferred name
- 3'-((2-Hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)acetophenone
- IUPAC
- 1-[3-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
- English name
- 3'-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidino)propoxy]acetophenone
- Molecular weight
- 0
Names & synonyms
63990-72-7BRN 15059563'-((2-Hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)acetophenoneACETOPHENONE, 3'-((2-HYDROXY-3-(4-HYDROXY-4-PHENYLPIPERIDINO))PROPOXY)-DTXSID209817813'-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidino)propoxy]acetophenone1-{3-[2-Hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}ethan-1-oneDB-294028
Database identifiers
- CAS
63990-72-7- PubChem CID
- 46184
- DTXSID
DTXSID20981781- Nikkaji
- J90.744H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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