Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ncccn3)cc2)CC1- InChIKey
LUYCYBUUBFXVQD-UHFFFAOYSA-N- Molecular formula
- C20H25N3O2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.19467705
Names & identifiers
- Preferred name
- 4-(4-Pyrimidin-2-yl-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL1199768LUYCYBUUBFXVQD-UHFFFAOYSA-N4-(4-Pyrimidin-2-yl-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59511342
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 427
Related reactions
3 records
Compound notes
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