Basic information
- CAS
306298-26-0- Standard SMILES
COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C- InChIKey
LABHEHCWUFFHCE-UGKGYDQZSA-N- Molecular formula
- C26H40F3N3O3
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.30217663
Names & identifiers
- Preferred name
- Tert-butyl 4-((s)-4-((r)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate
- English name
- tert-butyl 4-((S)-4-((R)-2-Methoxy-1-(4-(trifluoroMethyl)phenyl)ethyl)-3-Methylpiperazin-1-yl)-4-Methylpiperidine-1-carboxylate
- Molecular formula
- C26H40F3N3O3
- Molecular weight
- 499.61
Names & synonyms
306298-26-0tert-butyl 4-((s)-4-((r)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazin-1-yl)-4-methylpiperidine-1-carboxylatetert-butyl 4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylateDTXSID101101638AKOS015924411DB-3529611,1-Dimethylethyl 4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
306298-26-0- PubChem CID
- 29945238
- DTXSID
DTXSID101101638
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 696
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
南京友杰医药科技有限公司18860950986 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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