| CAS Number | 1189694-37-8 |
| Catalog Number | AG00HEU2(AGN-PC-0WBOE5) |
| Chemical Name | 3-(4-Fluorobenzyl)piperidine-3-ethylcarboxylate, HCl |
| IUPAC Name | ethyl 3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C15H20FNO2.ClH/c1-2-19-14(18)15(8-3-9-17-11-15)10-12-4-6-13(16)7-5-12;/h4-7,17H,2-3,8-11H2,1H3;1H |
| InChI Key | YYTRCTGWXHHHST-UHFFFAOYSA-N |
| MDL Number | MFCD03840059 |
| Molecular Formula | C15H21ClFNO2 |
| Molecular Weight | 301.7841 |
| SMILES | Cl.CCOC(=O)C1(CC2=CC=C(F)C=C2)CCCNC1 |
| Synonyms | 1189694-37-8,
ETHYL 3-(4-FLUOROBENZYL)PIPERIDINE-3-CARBOXYLATE HCL,
3-(4-Fluorobenzyl)Piperidine-3-Ethylcarboxylate Hydrochloride,
Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate hydrochloride,
C15H20FNO2.HCl,
DTXSID40592095,
6689AH,
AR1322,
MFCD03840059,
AS-45088,
X-2130,
3-(4-Fluorobenzyl)piperidine-3-ethylcarboxylate, HCl,
Ethyl 3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate--hydrogen chloride (1/1),
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.786g/mol |
| Monoisotopic Mass | 301.124g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number