| CAS Number | 1237526-35-0 |
| Catalog Number | AG009WML(AGN-PC-0WCL6M) |
| Chemical Name | cis-4-Aminomethyl-3-fluoropiperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl (3R,4S)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate |
| InChI | InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-5-4-8(6-13)9(12)7-14/h8-9H,4-7,13H2,1-3H3/t8-,9-/m0/s1 |
| InChI Key | PWWDRFMQLZQJAY-IUCAKERBSA-N |
| MDL Number | MFCD24850021 |
| Molecular Formula | C11H21FN2O2 |
| Molecular Weight | 232.2950 |
| SMILES | NC[C@@H]1CCN(C[C@@H]1F)C(=O)OC(C)(C)C |
| Synonyms | (3S,4R)-rel-1-Boc-4-aminomethyl-3-fluoropiperidine,
1237526-35-0,
1932008-28-0,
SCHEMBL2351216,
MFCD24850021,
ZINC95629884,
PB38565,
SB20523,
AS-51966,
CS-0053236,
Q-3474,
(3R,4S)-tert-butyl 4-(aminomethyl)-3-fluoropiperidine-1-carboxylate,
cis-4-Aminomethyl-3-fluoropiperidine-1-carboxylic acid tert-butyl ester,
tert-butyl (3R,4S)-4-(aminomethyl)-3-fluoropiperidine-1-carboxylate,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.299g/mol |
| Monoisotopic Mass | 232.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number