Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(COCc2cc(N)cc(-c3ccc(C#N)cc3)c2)(c2ccccc2)CC1- InChIKey
KYPQIOZTKMZKSF-UHFFFAOYSA-N- Molecular formula
- C31H35N3O3
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(((5-amino-4'-cyanobiphenyl-3-yl)methoxy)methyl)-4-phenylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[3-amino-5-(4-cyanophenyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL13404477KYPQIOZTKMZKSF-UHFFFAOYSA-Ntert-Butyl 4-(((5-amino-4'-cyanobiphenyl-3-yl)methoxy)methyl)-4-phenylpiperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58993467
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 777
Related reactions
2 records
Compound notes
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