Basic information
- CAS
42585-59-1- Standard SMILES
CC(=O)c1cccc(OCC(O)CN2CCN(c3ccccc3)CC2)c1- InChIKey
FDTSYVCHZCQUMG-UHFFFAOYSA-N- Molecular formula
- C21H26N2O3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.1943427
Names & identifiers
- Preferred name
- 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone
- IUPAC
- 1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone42585-59-1BRN 0842016ACETOPHENONE, 3'-((2-HYDROXY-3-(4-PHENYLPIPERAZINYL))PROPOXY)-DTXSID109625841-{3-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}ethan-1-oneAKOS008570487
Database identifiers
- CAS
42585-59-1- PubChem CID
- 39235
- DTXSID
DTXSID10962584- Nikkaji
- J90.751K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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