1-Propanone, 1-(4-(2-hydroxy-3-(4-(1-naphthalenyl)-1-piperazinyl)propoxy)phenyl)-, (+-)-
Basic information
- CAS
36115-89-6- Standard SMILES
CCC(=O)c1ccc(OCC(O)CN2CCN(c3cccc4ccccc34)CC2)cc1- InChIKey
WCUXNHZHPMNLRE-UHFFFAOYSA-N- Molecular formula
- C26H30N2O3
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.22564282
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-(2-hydroxy-3-(4-(1-naphthalenyl)-1-piperazinyl)propoxy)phenyl)-, (+-)-
- IUPAC
- 1-[4-[2-hydroxy-3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
Names & synonyms
BRN 058821136115-89-65-23-02-00130 (Beilstein Handbook Reference)(+-)-1-(4-(2-Hydroxy-3-(4-(1-naphthalenyl)-1-piperazinyl)propoxy)phenyl)-1-propanone1-Propanone, 1-(4-(2-hydroxy-3-(4-(1-naphthalenyl)-1-piperazinyl)propoxy)phenyl)-, (+-)-RefChem:2348201-(4-{2-hydroxy-3-[4-(naphthalen-1-yl)piperazin-1-yl]propoxy}phenyl)propan-1-oneDTXSID80957523
Database identifiers
- CAS
36115-89-6- PubChem CID
- 215718
- DTXSID
DTXSID80957523
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 555
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Compound notes
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