(2S,3S)-1-tert-Butoxycarbonyl-3-[5-[2,2-difluoro-1-(trifluoromethyl)ethenyl]-2-methoxybenzyl]amino-2-phenylpiperidine

HCID 70001040

Basic information

Standard SMILES
COc1ccc(C(=C(F)F)C(F)(F)F)cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1
InChIKey
ATOSDRGWPAXLDC-REWPJTCUSA-N
Molecular formula
C27H31F5N2O3
Average molar mass
526.5 g/mol
Monoisotopic mass
526.22548367

Names & identifiers

Preferred name
(2S,3S)-1-tert-Butoxycarbonyl-3-[5-[2,2-difluoro-1-(trifluoromethyl)ethenyl]-2-methoxybenzyl]amino-2-phenylpiperidine
IUPAC
tert-butyl (2S,3S)-3-[[2-methoxy-5-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]methylamino]-2-phenylpiperidine-1-carboxylate

Names & synonyms

(2S,3S)-1-tert-Butoxycarbonyl-3-[5-[2,2-difluoro-1-(trifluoromethyl)ethenyl]-2-methoxybenzyl]amino-2-phenylpiperidineSCHEMBL7137212(2S, 3S)-1-tert-Butoxycarbonyl-3-[5-[2,2-difluoro-1-(trifluoromethyl)ethenyl]-2-methoxybenzyl]amino-2-phenylpiperidine

Database identifiers

PubChem CID
70001040

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

Related reactions

4 records

Compound notes

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