Basic information
- CAS
17766-62-0- Standard SMILES
COc1cc(C(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC- InChIKey
SNMTWROJPBGTIB-UHFFFAOYSA-N- Molecular formula
- C25H34N2O4
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.25185757
Names & identifiers
- Preferred name
- Ketone, 4-(p-tert-butylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- [4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
- English name
- 4-(p-tert-Butylbenzyl)-1-piperazinyl(3,4,5-trimethoxyphenyl) ketone
- Molecular weight
- 0
Names & synonyms
17766-62-0BRN 1604194KETONE, 4-(p-tert-BUTYLBENZYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL1-(p-tert-Butylbenzyl)-4-(3,4,5-trimethoxybenzoyl)piperazine4-(p-tert-Butylbenzyl)piperazinyl 3,4,5-trimethoxyphenyl ketoneDTXSID00170358Piperazine, 1-(p-tert-butylbenzyl)-4-(3,4,5-trimethoxybenzoyl)-5-23-01-00217 (Beilstein Handbook Reference)RefChem:350427DTXCID80928494-(p-tert-Butylbenzyl)-1-piperazinyl(3,4,5-trimethoxyphenyl) ketone[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Show more names
{4-[(4-tert-Butylphenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
Database identifiers
- CAS
17766-62-0- PubChem CID
- 28754
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Boiling point
- 541.98 °C · 541.98°C (rough estimate)
- Density
- 1.1506 · 1.1506 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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