Basic information
- Standard SMILES
COc1cc(-c2cc(CN(c3ccc(F)c(F)c3)C3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc(OC)c1OC- InChIKey
ZLGQNHZXTOUIAD-UHFFFAOYSA-N- Molecular formula
- C31H37F2N3O5
- Average molar mass
- 569.6 g/mol
Names & identifiers
- Preferred name
- 1-(tert-butoxycarbonyl)-4-[N-(3,4-difluorophenyl)-N-[[2-(3,4,5-trimethoxyphenyl) pyridin-4-yl]methyl]amino]piperidine
- IUPAC
- tert-butyl 4-[3,4-difluoro-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]anilino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4122276ZLGQNHZXTOUIAD-UHFFFAOYSA-N1-(tert-butoxycarbonyl)-4-[N-(3,4-difluorophenyl)-N-[[2-(3,4,5-trimethoxyphenyl) pyridin-4-yl]methyl]amino]piperidine1-(tert-butoxycarbonyl)-4-[N-(3,4-difluorophenyl)-N-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]amino]piperidine
Database identifiers
- PubChem CID
- 22558036
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 810
Related reactions
3 records
Compound notes
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