Basic information
- CAS
401565-92-2- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1- InChIKey
SDDFJFPUKXLWMA-UHFFFAOYSA-N- Molecular formula
- C17H23F3N2O2
- Average molar mass
- 344.37 g/mol
- Monoisotopic mass
- 344.17116264
Names & identifiers
- Preferred name
- 1-Boc-4-(4-Trifluoromethyl-phenylamino)-piperidine
- IUPAC
- tert-butyl 4-[4-(trifluoromethyl)anilino]piperidine-1-carboxylate
- English name
- 1-Boc-4-(4-trifluoromethyl-phenylamino)-piperidine
- Molecular formula
- C17H23F3N2O2
- Molecular weight
- 344.37
Names & synonyms
401565-92-21-Boc-4-(4-Trifluoromethyl-phenylamino)-piperidine1-boc-4-(4-trifluoromethylphenylamino)piperidinetert-butyl 4-[4-(trifluoromethyl)anilino]piperidine-1-carboxylateMFCD07785994tert-butyl 4-(4-(trifluoromethyl)phenylamino)piperidine-1-carboxylatetert-Butyl 4-((4-(trifluoromethyl)phenyl)amino)piperidine-1-carboxylateTERT-BUTYL 4-{[4-(TRIFLUOROMETHYL)PHENYL]AMINO}PIPERIDINE-1-CARBOXYLATE1-Piperidinecarboxylicacid, 4-[[4-(trifluoromethyl)phenyl]amino]-, 1,1-dimethylethyl esterSCHEMBL1704151DTXSID60621770AKOS027378997
Show more names
tert-Butyl 4-(4-(trifluoromethyl)-phenylamino)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-[[4-(trifluoromethyl)phenyl]amino]-, 1,1-dimethylethyl ester
AB91567CS-04521491-(tert-butoxycarbonyl)-4-[[4-(trifluoromethyl)phenyl]amino]piperidine1,1-Dimethylethyl 4-{[4-(trifluoromethyl)phenyl]amino}-1-piperidinecarboxylate4-(4-trifluoromethyl-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- CAS
401565-92-2- PubChem CID
- 22029142
- DTXSID
DTXSID60621770
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Boiling point
- 408.1 · 408.1±45.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 2.88 · 2.88±0.20(Predicted)
Chemistry & industry
Suppliers6 total
T&W GROUP021-61551611 13296011611 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
16 records
Compound notes
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