| CAS Number | 188979-06-8 |
| Catalog Number | AG00AQJ3(AGN-PC-0WA4DR) |
| Chemical Name | 1-BOC-4-(pyrrolidinocarbonyl)piperidine |
| IUPAC Name | tert-butyl 4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)16-8-4-5-9-16/h12H,4-11H2,1-3H3 |
| InChI Key | PWNKYFWPIRLPQN-UHFFFAOYSA-N |
| MDL Number | MFCD09805358 |
| Molecular Formula | C15H26N2O3 |
| Molecular Weight | 282.3785 |
| SMILES | O=C(N1CCC(CC1)C(=O)N1CCCC1)OC(C)(C)C |
| Synonyms | 1-BOC-4-(PYRROLIDINOCARBONYL)PIPERIDINE,
188979-06-8,
tert-butyl 4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate,
tert-butyl 4-(pyrrolidin-1-ylcarbonyl)piperidine-1-carboxylate,
SCHEMBL6544206,
ZINC5137861,
KM3992,
MFCD09805358,
STL220638,
AKOS000169164,
MCULE-4212569763,
AS-40155,
FT-0749367,
ST45244468,
V4021,
SR-01000137104,
SR-01000137104-1,
tert-butyl 4-(pyrrolidinylcarbonyl)piperidinecarboxylate,
C15H26N2O3,
4-(1-pyrrolidinylcarbonyl)-1-Piperidinecarboxylic acid 1,1-dimethylethyl este,
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| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.384g/mol |
| Monoisotopic Mass | 282.194g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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