Basic information
- CAS
63990-66-9- Standard SMILES
CC(=O)c1ccccc1OCC(O)CN1CCN(c2ccccc2Cl)CC1- InChIKey
NIHRMUCHYZKKDX-UHFFFAOYSA-N- Molecular formula
- C21H25ClN2O3
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1553704
Names & identifiers
- Preferred name
- Acetophenone, 2'-((3-(4-(o-chlorophenyl)piperazinyl)-2-hydroxy)propoxy)-
- IUPAC
- 1-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
- English name
- 2'-[3-[4-(2-Chlorophenyl)piperazino]-2-hydroxypropoxy]acetophenone
- Molecular weight
- 0
Names & synonyms
63990-66-9ACETOPHENONE, 2'-((3-(4-(o-CHLOROPHENYL)PIPERAZINYL)-2-HYDROXY)PROPOXY)-RefChem:10758992'-((3-(4-(o-Chlorophenyl)piperazinyl)-2-hydroxy)propoxy)acetophenoneBRN 0851469NSC147840DTXSID601384433NSC 147840NSC-147840Ethanone, 1-[2-[3-[4-(2-chlorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-DB-3027792'-[3-[4-(2-Chlorophenyl)piperazino]-2-hydroxypropoxy]acetophenone
Database identifiers
- CAS
63990-66-9- PubChem CID
- 46175
- DTXSID
DTXSID601384433- Nikkaji
- J90.726J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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