Basic information
- CAS
228418-79-9- Standard SMILES
COc1ccccc1N1CCN(CCC(C)(C(=O)C2CCCCC2)c2ccccc2)CC1- InChIKey
GXVHRYDXBSTHCF-UHFFFAOYSA-N- Molecular formula
- C28H38N2O2
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.29332846
Names & identifiers
- Preferred name
- 1-Cyclohexyl-4-(4-(2-methoxyphenyl)piperazin-1-yl)-2-methyl-2-phenylbutan-1-one
- IUPAC
- 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one
- English name
- 1-Butanone, 1-cyclohexyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-2-phenyl-, dihydrochloride
- Molecular formula
- C28H38N2O2
- Molecular weight
- 434.61
Names & synonyms
228418-79-91-Cyclohexyl-4-(4-(2-methoxyphenyl)piperazin-1-yl)-2-methyl-2-phenylbutan-1-one1-Cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one(?)-LY426965 (hydrochloride)SCHEMBL5370763DTXSID20430946GXVHRYDXBSTHCF-UHFFFAOYSA-NDJA41882L0189581-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3 (phenyl)butyl]piperazine1-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3-(phenyl) butyl]piperazine1-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3-(phenyl)butyl]piperazine
Show more names
LY4269651-Cyclohexyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-2-phenyl-1-butanone1-Butanone, 1-cyclohexyl-4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-Methyl-2-phenyl-1-CYCLOHEXYL-4-[4-(2-METHOXY-PHENYL)-PIPERAZIN-1-YL]-2-PHENYL-BUTAN-1-ONE DIHYDROCHLORIDE1-Butanone, 1-cyclohexyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-2-phenyl-, dihydrochloride
(+)-1-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3-(phenyl)butyl]piperazine(+)-l-(2-methoxyphenyl)-4-[3-(cyclohexanecarbonyl)-3-(phenyl)butyl]piperazine1-(4'-Cyclohexyl-3'-methyl-4'-oxo-3'-phenylbutyl)-4-(2-methoxyphenyl) piperazine
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- Boiling point
- 587.8 · 587.8±50.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.17 · 7.17±0.10(Predicted)
- FDA UNII
- 9 R5YHV3U · DZ9R5YHV3U
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
Chemistry & industry
Suppliers2 total
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海沃见生物科技有限公司021-18017654 18017654809 · [email protected]
Related reactions
32 records
Compound notes
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