| CAS Number | 1262408-83-2 |
| Catalog Number | AG000SE4(AGN-PC-0WNH8W) |
| Chemical Name | 3-(N-Boc-aminomethyl)-3-fluoropiperidine |
| IUPAC Name | tert-butyl N-[(3-fluoropiperidin-3-yl)methyl]carbamate |
| InChI | InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-8-11(12)5-4-6-13-7-11/h13H,4-8H2,1-3H3,(H,14,15) |
| InChI Key | WYEDTEGPWDYPHT-UHFFFAOYSA-N |
| MDL Number | MFCD18375049 |
| Molecular Formula | C11H21FN2O2 |
| Molecular Weight | 232.2950 |
| SMILES | CC(OC(NCC1(CNCCC1)F)=O)(C)C |
| Synonyms | 3-(N-Boc-aminomethyl)-3-fluoropiperidine,
1262408-83-2,
3-(Boc-aminomethyl)-3-fluoropiperidine,
3-?(N-?Boc-?aminomethyl)?-?3-?fluoropiperidine,
tert-Butyl ((3-fluoropiperidin-3-yl)methyl)carbamate,
KS-000008SB,
MFCD18375049,
AKOS024102315,
AS-52568,
CS-0051785,
Carbamic acid, N-[(3-fluoro-3-piperidinyl)methyl]-, 1,1-dimethylethyl ester,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.299g/mol |
| Monoisotopic Mass | 232.159g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number