1-{4-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}propan-2-one
Basic information
- CAS
36115-50-1- Standard SMILES
CC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1- InChIKey
IYQFTMYXJCJXBY-UHFFFAOYSA-N- Molecular formula
- C22H28N2O3
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.20999276
Names & identifiers
- Preferred name
- 1-{4-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}propan-2-one
- IUPAC
- 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-2-one
Names & synonyms
36115-50-1BRN 05781341-{4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}propan-2-one(+-)-1-(4-(2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-2-propanone2-Propanone, 1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, (+-)-SCHEMBL9815965DTXSID10957516IYQFTMYXJCJXBY-UHFFFAOYSA-N1-[4-(propan-2-on-yl)-phenoxy]-3-(4-phenylpiperazin-1-yl)-propan-2-ol
Database identifiers
- CAS
36115-50-1- PubChem CID
- 215710
- DTXSID
DTXSID10957516- Nikkaji
- J1.103.772K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 437
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Related reactions
2 records
Compound notes
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