tert-Butyl ((1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-3-yl)methyl)carbamate
Basic information
- CAS
1417793-53-3- Standard SMILES
CC(C)(C)OC(=O)NCC1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1- InChIKey
JQXIXVPVEQBDDW-UHFFFAOYSA-N- Molecular formula
- C17H23ClF3N3O2
- Average molar mass
- 393.8 g/mol
- Monoisotopic mass
- 393.1430892
Names & identifiers
- Preferred name
- tert-Butyl ((1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-3-yl)methyl)carbamate
- IUPAC
- tert-butyl N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]carbamate
- English name
- (3'-Chloro-5'-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-ylMethyl)-carbaMic acid tert-butyl ester
- Molecular formula
- C17H23ClF3N3O2
- Molecular weight
- 393.83
Names & synonyms
1417793-53-3tert-Butyl ((1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-3-yl)methyl)carbamate(3'-Chloro-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-ylmethyl)-carbamic acid tert-butyl esterCarbamic acid, N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-piperidinyl]methyl]-, 1,1-dimethylethyl estertert-butyl N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]methyl]carbamateDTXSID901108014MFCD22631676AKOS024463187CS-0446229tert-butyl N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]methyl]carbamatetert-Butyl((1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-3-yl)methyl)carbamate(3'-Chloro-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-ylmethyl)-carbamic acid tert
Database identifiers
- CAS
1417793-53-3- PubChem CID
- 48218908
- DTXSID
DTXSID901108014
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 465.2 · 465.2±45.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- pka
- 12.71 · 12.71±0.46(Predicted)
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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