| CAS Number | 1613192-01-0 |
| Catalog Number | AG001SC7(AGN-PC-0WG4AH) |
| Chemical Name | 4-Piperidinecarboxylic acid, 1-(3-amino-5-fluoro-4-pyridinyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 1-(3-amino-5-fluoropyridin-4-yl)piperidine-4-carboxylate |
| InChI | InChI=1S/C15H22FN3O2/c1-15(2,3)21-14(20)10-4-6-19(7-5-10)13-11(16)8-18-9-12(13)17/h8-10H,4-7,17H2,1-3H3 |
| InChI Key | MOVLIJJQHSYTQS-UHFFFAOYSA-N |
| MDL Number | MFCD29053447 |
| Molecular Formula | C15H22FN3O2 |
| Molecular Weight | 295.3525 |
| SMILES | NC=1C=NC=C(C1N1CCC(CC1)C(=O)OC(C)(C)C)F |
| Synonyms | 1613192-01-0,
tert-butyl 1-(3-amino-5-fluoropyridin-4-yl)piperidine-4-carboxylate,
tert-butyl 1-(3-amino-5-fluoro-4-pyridyl)piperidine-4-carboxylate,
SCHEMBL15770835,
MOVLIJJQHSYTQS-UHFFFAOYSA-N,
MFCD29053447,
ZINC145157717,
AS-55047,
DA-43769,
TZ001265,
CS-0037064,
FT-0718217,
t-Butyl 1-(3-amino-5-fluoropyridin-4-yl)piperidine-4-carboxylate,
4-Piperidinecarboxylic acid, 1-(3-amino-5-fluoro-4-pyridinyl)-, 1,1-dimethylethyl ester,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.358g/mol |
| Monoisotopic Mass | 295.17g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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