1-Propanone, 1-(3-(2-hydroxy-3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, (+-)-
Basic information
- CAS
49646-27-7- Standard SMILES
CCC(=O)c1cccc(OCC(O)CN2CCN(c3cccc(OC)c3)CC2)c1- InChIKey
ZCWKLZVHEKATHN-UHFFFAOYSA-N- Molecular formula
- C23H30N2O4
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.22055744
Names & identifiers
- Preferred name
- 1-Propanone, 1-(3-(2-hydroxy-3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, (+-)-
- IUPAC
- 1-[3-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
Names & synonyms
BRN 0855718(+-)-1-(3-(2-Hydroxy-3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-1-propanone49646-27-71-Propanone, 1-(3-(2-hydroxy-3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, (+-)-RefChem:234777DTXSID109643261-(3-{2-Hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy}phenyl)propan-1-one
Database identifiers
- CAS
49646-27-7- PubChem CID
- 206346
- DTXSID
DTXSID10964326
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 495
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Compound notes
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