| CAS Number | 942142-74-7 |
| Catalog Number | AG00GTYN(AGN-PC-0WQV6M) |
| Chemical Name | Tert-Butyl (R)-3-((R)-(3-Chlorophenyl)(Hydroxy)Methyl)Piperidine-1-Carboxylate |
| IUPAC Name | tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H24ClNO3/c1-17(2,3)22-16(21)19-9-5-7-13(11-19)15(20)12-6-4-8-14(18)10-12/h4,6,8,10,13,15,20H,5,7,9,11H2,1-3H3/t13-,15+/m1/s1 |
| InChI Key | ADRSZIQSSXPARX-HIFRSBDPSA-N |
| MDL Number | MFCD13184688 |
| Molecular Formula | C17H24ClNO3 |
| Molecular Weight | 325.8304 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H](C1)[C@@H](O)C1=CC=CC(Cl)=C1 |
| Synonyms | 942142-74-7,
1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)hydroxymethyl]-, 1,1-dimethylethyl ester, (3R)-,
tert-Butyl (R)-3-((R)-(3-chlorophenyl)(hydroxy)methyl)piperidine-1-carboxylate,
(R)-tert-butyl 3-((R)-(3-chlorophenyl)(hydroxy)methyl)piperidine-1-carboxylate,
SCHEMBL968955,
ADRSZIQSSXPARX-HIFRSBDPSA-N,
1-Piperidinecarboxylic acid,3-[(R)-(3-chlorophenyl)hydroxymethyl]-,1,1-dimethylethyl ester,(3R)-,
CS-B0227,
ZINC88365653,
CS-13992,
tert-butyl (3r)-3-[(r)-(3-chlorophenyl)(hydroxy)-methyl]-1-piperidinecarboxylate,
942142-75-8,
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| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.144471g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.8g/mol |
| Monoisotopic Mass | 325.144471g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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