Ketone, 4-(p-methoxyphenyl)piperazinyl 3,4,5-trimethoxyphenyl
Basic information
- CAS
17766-70-0- Standard SMILES
COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1- InChIKey
IYHLPFHSSALZLY-UHFFFAOYSA-N- Molecular formula
- C21H26N2O5
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.18417193
Names & identifiers
- Preferred name
- Ketone, 4-(p-methoxyphenyl)piperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- [4-(4-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
- English name
- 4-(p-Methoxyphenyl)-1-piperazinyl(3,4,5-trimethoxyphenyl) ketone
- Molecular formula
- C21H26N2O5
- Molecular weight
- 386.44
Names & synonyms
17766-70-0BRN 1605756KETONE, 4-(p-METHOXYPHENYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL1-(p-Methoxyphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine4-(p-Methoxyphenyl)piperazinyl 3,4,5-trimethoxyphenyl ketoneDTXSID90170362Piperazine, 1-(p-methoxyphenyl)-4-(3,4,5-trimethoxybenzoyl)-5-23-02-00026 (Beilstein Handbook Reference)RefChem:350426DTXCID20928534-(p-Methoxyphenyl)-1-piperazinyl(3,4,5-trimethoxyphenyl) ketone[4-(4-methoxyphenyl)piperazin-1-yl](3,4,5-trimethoxyphenyl)methanone
Show more names
Methanone, [4-(4-methoxyphenyl)-1-piperazinyl](3,4,5-trimethoxyphenyl)-
[4-(4-methoxyphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanoneSTK227851AKOS001136260CCG-329458Z27906582
Database identifiers
- CAS
17766-70-0- PubChem CID
- 28758
- DTXSID
DTXSID90170362- Nikkaji
- J41.566I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 512.64 °C · 512.64°C (rough estimate)
- Density
- 1.2485 · 1.2485 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
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Related reactions
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Compound notes
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