| CAS Number | 1000053-23-5 |
| Catalog Number | AG00009L(AGN-PC-0CRR6L) |
| Chemical Name | tert-Butyl (1-(4-amino-2-fluorophenyl)piperidin-4-yl)carbamate |
| IUPAC Name | tert-butyl N-[1-(4-amino-2-fluorophenyl)piperidin-4-yl]carbamate |
| InChI | InChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)19-12-6-8-20(9-7-12)14-5-4-11(18)10-13(14)17/h4-5,10,12H,6-9,18H2,1-3H3,(H,19,21) |
| InChI Key | JDNYMHLVBPANAR-UHFFFAOYSA-N |
| MDL Number | MFCD08443960 |
| Molecular Formula | C16H24FN3O2 |
| Molecular Weight | 309.3791 |
| SMILES | CC(C)(C)OC(=O)NC1CCN(CC1)C1=C(F)C=C(N)C=C1 |
| Synonyms | 1000053-23-5,
tert-Butyl (1-(4-amino-2-fluorophenyl)piperidin-4-yl)carbamate,
SCHEMBL3212610,
JDNYMHLVBPANAR-UHFFFAOYSA-N,
ANW-55798,
ZINC82046459,
AX8182109,
TC-144543,
tert-Butyl (1-(4-amino-2-fluorophenyl)-piperidin-4-yl)carbamate,
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]carbamic acid tert-butyl ester,
AJ-124154,
tert-Butyl(1-(4-amino-2-fluorophenyl)piperidin-4-yl)carbamate,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.185255g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.38g/mol |
| Monoisotopic Mass | 309.185255g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number