| CAS Number | 1086398-00-6 |
| Catalog Number | AG009LPT(AGN-PC-0WD02C) |
| Chemical Name | 1-BOC-4-(3-FLUOROPHENYL)-PIPERIDINE |
| IUPAC Name | tert-butyl 4-(3-fluorophenyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H22FNO2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10H2,1-3H3 |
| InChI Key | PMKNCLWKUMUPOR-UHFFFAOYSA-N |
| MDL Number | MFCD11501182 |
| Molecular Formula | C16H22FNO2 |
| Molecular Weight | 279.3498 |
| SMILES | FC1C=CC=C(C=1)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1086398-00-6,
1-Boc-4-(3-Fluorophenyl)-piperidine,
tert-Butyl 4-(3-fluorophenyl)piperidine-1-carboxylate,
4-(3-Fluoro-phenyl)-piperidine-1-carboxylic acid tert-butyl ester,
DTXSID00678142,
MFCD11501182,
ZINC44137628,
AKOS016014988,
AS-36309,
AB0074823,
AJ-109393,
AX8214708,
TC-070512,
X-3758,
4-(3-fluorophenyl)piperidine-1-carboxylic acid tert-butyl ester,
tert-Butyl4-(3-fluorophenyl)piperidine-1-carboxylate,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.355g/mol |
| Monoisotopic Mass | 279.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number