Basic information
- Standard SMILES
COc1ccc(CNc2ncccc2CNC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1- InChIKey
UBQLKCRQLCMONW-UHFFFAOYSA-N- Molecular formula
- C25H36N4O4
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-((2-(2,4-dimethoxybenzylamino)pyridin-3-yl)methylamino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]methylamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2101049UBQLKCRQLCMONW-UHFFFAOYSA-Ntert-butyl 4-((2-(2,4-dimethoxybenzylamino)pyridin-3-yl)methylamino)piperidine-1-carboxylatetert-Butyl 4-[({2-[(2,4-dimethoxybenzyl)amino]pyridin-3-yl}methyl)amino]piperidine-1-carboxylatetert-Butyl-4-((2-(2,4-dimethoxybenzylamino)pyridin-3-yl)methylamino)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 22293293
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 591
Related reactions
14 records
Linked notes
Loading…