Ketone, 4-phenylpiperazinyl 3,4,5-trimethoxyphenyl
Basic information
- CAS
17766-63-1- Standard SMILES
COc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC- InChIKey
TYBAPDCCMCKUPD-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.17360725
Names & identifiers
- Preferred name
- Ketone, 4-phenylpiperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- (4-phenylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
- English name
- 1-Phenyl-4-(3,4,5-trimethoxybenzoyl)piperazine
- Molecular formula
- C20H24N2O4
- Molecular weight
- 356.42
Names & synonyms
1-Phenyl-4-(3,4,5-trimethoxybenzoyl)piperazine17766-63-1BRN 07639884-Phenylpiperazinyl 3,4,5-trimethoxyphenyl ketoneKETONE, 4-PHENYLPIPERAZINYL 3,4,5-TRIMETHOXYPHENYLPiperazine, 1-phenyl-4-(3,4,5-trimethoxybenzoyl)-DTXSID601703595-23-01-00170 (Beilstein Handbook Reference)RefChem:350432DTXCID7092850(4-phenylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone(4-phenylpiperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone
Show more names
(4-Phenyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanoneMethanone, (4-phenyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)-
Oprea1_700390Oprea1_785459STK090561AKOS000577094ST055457SR-01000512727SR-01000512727-1BRD-K23100884-001-01-5
Database identifiers
- CAS
17766-63-1- PubChem CID
- 28755
- DTXSID
DTXSID60170359- Nikkaji
- J41.575H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Boiling point
- 489.25 °C · 489.25°C (rough estimate)
- Density
- 1.2233 · 1.2233 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
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Related reactions
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Compound notes
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