Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@](O)(C#CCO)[C@@H]1c1ccccc1- InChIKey
BGHZPLJYKUEURG-QFBILLFUSA-N- Molecular formula
- C19H25NO4
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.17835828
Names & identifiers
- Preferred name
- (2S,3R)-1-tert-Butoxycarbonyl-3-(3-hydroxypropyn-1-yl)-2-phenylpiperidin-3-ol
- IUPAC
- tert-butyl (2S,3R)-3-hydroxy-3-(3-hydroxyprop-1-ynyl)-2-phenylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL5784123BGHZPLJYKUEURG-QFBILLFUSA-N(2S, 3R)-1-tert-Butoxycarbonyl-3-(3-hydroxypropyn-1-yl)-2-phenylpiperidin-3-ol(2S,3R)-1-tert-Butoxycarbonyl-3-(3-hydroxypropyn- 1-yl)-2-phenylpiperidin-3-ol(2S,3R)-1-tert-Butoxycarbonyl-3-(3-hydroxypropyn-1-yl)-2-phenylpiperidin-3-ol(2S,3R)-1-tert-butoxycarbonyl-3-(3-hydroxypropyn-1yl)-2-phenylpiperidin-3-ol(2S,3R)-1-tert-Butyloxycarbonyl-3-(3-hydroxypropyn-1yl)-2-phenylpiperidin-3-ol
Database identifiers
- PubChem CID
- 11301992
- Nikkaji
- J1.617.091G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
35 records
Compound notes
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