| CAS Number | 401518-12-5 |
| Catalog Number | AG00CQTK(AGN-PC-0RM383) |
| Chemical Name | 1-Boc-4-Cyano-4-[3-(Cyclopentyloxy)-4-Methoxyphenyl]-Piperidine |
| IUPAC Name | tert-butyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C23H32N2O4/c1-22(2,3)29-21(26)25-13-11-23(16-24,12-14-25)17-9-10-19(27-4)20(15-17)28-18-7-5-6-8-18/h9-10,15,18H,5-8,11-14H2,1-4H3 |
| InChI Key | HYPROUWETCXMTR-UHFFFAOYSA-N |
| MDL Number | MFCD11849788 |
| Molecular Formula | C23H32N2O4 |
| Molecular Weight | 400.5112 |
| SMILES | COc1ccc(cc1OC1CCCC1)C1(CCN(CC1)C(=O)OC(C)(C)C)C#N |
| Synonyms | 1-BOC-4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]-PIPERIDINE,
401518-12-5,
tert-Butyl 4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphenyl)piperidine-1-carboxylate,
tert-Butyl 4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]piperidine-1-carboxylate,
SCHEMBL3160402,
DTXSID40678166,
MFCD11849788,
ZINC79033192,
CS-0037791,
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| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.519g/mol |
| Monoisotopic Mass | 400.236g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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