| CAS Number | 1314771-79-3 |
| Catalog Number | AG00HSHD(AGN-PC-0WQY16) |
| Chemical Name | Tert-butyl 4-(pyrrolidin-3-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-pyrrolidin-3-ylpiperidine-1-carboxylate |
| InChI | InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-5-11(6-9-16)12-4-7-15-10-12/h11-12,15H,4-10H2,1-3H3 |
| InChI Key | HPBKCERYOZOMSM-UHFFFAOYSA-N |
| MDL Number | MFCD19700141 |
| Molecular Formula | C14H26N2O2 |
| Molecular Weight | 254.3684 |
| SMILES | C(=O)(OC(C)(C)C)N1CCC(CC1)C1CCNC1 |
| Synonyms | tert-Butyl 4-(pyrrolidin-3-yl)piperidine-1-carboxylate,
1314771-79-3,
MFCD19700141,
AS-48307,
t-Butyl 4-(pyrrolidin-3-yl)piperidine-1-carboxylate,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.374g/mol |
| Monoisotopic Mass | 254.199g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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