tert-butyl (3-((3R,4R)-4-amino-3-hydroxypiperidin-1-yl)-2-chloro-5-cyanophenyl)carbamate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C#N)cc(N2CC[C@@H](N)[C@H](O)C2)c1Cl- InChIKey
VFXDDCLUCZLBJY-BXUZGUMPSA-N- Molecular formula
- C17H23ClN4O3
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.1458683
Names & identifiers
- Preferred name
- tert-butyl (3-((3R,4R)-4-amino-3-hydroxypiperidin-1-yl)-2-chloro-5-cyanophenyl)carbamate
- IUPAC
- tert-butyl N-[3-[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-2-chloro-5-cyanophenyl]carbamate
Names & synonyms
SCHEMBL15409202VFXDDCLUCZLBJY-BXUZGUMPSA-Ntert-butyl (3-((3R,4R)-4-amino-3-hydroxypiperidin-1-yl)-2-chloro-5-cyano phenyl)carbamatetert-butyl (3-((3R,4R)-4-amino-3-hydroxypiperidin-1-yl)-2-chloro-5-cyanophenyl)carbamatetert-butyl(3-((3R,4R)-4-amino-3-hydroxypiperidin-1-yl)-2-chloro-5-cyano phenyl)carbamatetert-butyl(3-((3R,4R)-4-amino-3-hydroxypiperidin-1-yl)-2-chloro-5-cyanophenyl)carbamate
Database identifiers
- PubChem CID
- 89919946
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
2 records
Compound notes
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