Basic information
- Standard SMILES
C#CCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2O)cc1- InChIKey
KRXDGKDPYOMKGV-UHFFFAOYSA-N- Molecular formula
- C19H25NO4
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.17835828
Names & identifiers
- Preferred name
- tert-butyl (3RS,4RS)-3-hydroxy-4-(4-prop-2-ynyloxy-phenyl)-piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-hydroxy-4-(4-prop-2-ynoxyphenyl)piperidine-1-carboxylate
Names & synonyms
KRXDGKDPYOMKGV-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-3-hydroxy-4-(4-prop-2-ynyloxy-phenyl)-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 54010348
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 467
Related reactions
3 records
Compound notes
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