Basic information
- CAS
1286274-80-3- Standard SMILES
CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Cl)cc2F)CC1- InChIKey
LJMIMZZOWHLXBZ-UHFFFAOYSA-N- Molecular formula
- C17H24ClFN2O2
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.1510339
Names & identifiers
- Preferred name
- tert-Butyl 1-(4-chloro-2-fluorobenzyl)piperidin-4-ylcarbamate
- IUPAC
- tert-butyl N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]carbamate
- English name
- tert-Butyl 1-(4-chloro-2-fluorobenzyl)piperidin-4-ylcarbamate
- Molecular formula
- C17H24ClFN2O2
- Molecular weight
- 342.84
Names & synonyms
1286274-80-3tert-Butyl 1-(4-chloro-2-fluorobenzyl)piperidin-4-ylcarbamatetert-Butyl (1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)carbamateMFCD17014411tert-butyl N-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]carbamatetert-Butyl(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)carbamateAKOS027385970KS-6131F064041tert-butyl N-[1-[(4-chloro-2-fluoro-phenyl)methyl]-4-piperidyl]carbamateCarbamic acid, N-[1-[(4-chloro-2-fluorophenyl)methyl]-4-piperidinyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1286274-80-3- PubChem CID
- 53256120
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Chemistry & industry
Suppliers1 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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