| CAS Number | 1163286-35-8 |
| Catalog Number | AG01B5LD |
| Chemical Name | rac-tert-butyl (3R,4S)-3-amino-4-phenylpiperidine-1-carboxylate |
| IUPAC Name | tert-butyl (3S,4R)-3-amino-4-phenylpiperidine-1-carboxylate |
| InChI | InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-13(14(17)11-18)12-7-5-4-6-8-12/h4-8,13-14H,9-11,17H2,1-3H3/t13-,14-/m1/s1 |
| InChI Key | BPFDKUCSVLPAQY-ZIAGYGMSSA-N |
| MDL Number | MFCD26954908 |
| Molecular Formula | C16H24N2O2 |
| Molecular Weight | 276.3740 |
| SMILES | CC(OC(N1C[C@@H](N)[C@@H](C2=CC=CC=C2)CC1)=O)(C)C |
| Synonyms | tert-butyl (3S,4R)-3-amino-4-phenylpiperidine-1-carboxylate,
1163286-35-8,
SCHEMBL2244924,
BPFDKUCSVLPAQY-ZIAGYGMSSA-N,
ZINC12505962,
AKOS034813975,
EN300-301309,
Z2517219366,
rac-tert-butyl (3R,4S)-3-amino-4-phenylpiperidine-1-carboxylate, cis,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.38g/mol |
| Monoisotopic Mass | 276.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number