1-(tert-butoxycarbonyl)-4-[N-(3,4-difluorophenyl)-N-[[2-(3,4,5-trimethoxyphenyl) pyridin-4-yl]methyl]amino]piperidine

HCID 22558036

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

Related reactions

3 records

Compound notes

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