Basic information
- CAS
17837-64-8- Standard SMILES
COc1cc(C(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1OC- InChIKey
NHDRMMURFMGQIN-UHFFFAOYSA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.22055744
Names & identifiers
- Preferred name
- Ketone, 4-cyclohexylpiperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- (4-cyclohexylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
- English name
- 4-Cyclohexyl-1-piperazinyl(3,4,5-trimethoxyphenyl) ketone
- Molecular formula
- C20H30N2O4
- Molecular weight
- 362.46
Names & synonyms
17837-64-81-Cyclohexyl-4-(3,4,5-trimethoxybenzoyl)piperazineBRN 15940344-Cyclohexylpiperazinyl 3,4,5-trimethoxyphenyl ketoneKETONE, 4-CYCLOHEXYLPIPERAZINYL 3,4,5-TRIMETHOXYPHENYLPiperazine, 1-cyclohexyl-4-(3,4,5-trimethoxybenzoyl)-DTXSID501704645-23-01-00154 (Beilstein Handbook Reference)RefChem:350430DTXCID50929554-Cyclohexyl-1-piperazinyl(3,4,5-trimethoxyphenyl) ketone(4-cyclohexylpiperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone
Show more names
Methanone, (4-cyclohexyl-1-piperazinyl)(3,4,5-trimethoxyphenyl)-
(4-cyclohexylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanoneCambridge id 6033173Oprea1_220340CHEMBL1616309STK146754AKOS005405969NCGC00245381-01NCGC00245381-02
Database identifiers
- CAS
17837-64-8
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
- 520.8 · 520.8±50.0 °C(Predicted)
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- pka
- 7.51 · 7.51±0.70(Predicted)
Chemistry & industry
Suppliers1 total
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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