| CAS Number | 176524-12-2 |
| Catalog Number | AG00APEN(AGN-PC-0WBOE3) |
| Chemical Name | 3-(4-Chlorobenzyl)piperidine-3-ethylcarboxylate, HCl |
| IUPAC Name | ethyl 3-[(4-chlorophenyl)methyl]piperidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C15H20ClNO2.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 | HIWGELPPGDRVAB-UHFFFAOYSA-N |
| MDL Number | MFCD03840057 |
| Molecular Formula | C15H21Cl2NO2 |
| Molecular Weight | 318.2387 |
| SMILES | Cl.CCOC(=O)C1(CC2=CC=C(Cl)C=C2)CCCNC1 |
| Synonyms | 176524-12-2,
ethyl 3-(4-chlorobenzyl)piperidine-3-carboxylate hydrochloride,
ETHYL 3-(4-CHLOROBENZYL)PIPERIDINE-3-CARBOXYLATE HCL,
3-(4-chlorobenzyl)piperidine-3-ethylcarboxylate hydrochloride,
C15H20ClNO2.HCl,
DTXSID20592093,
ZX-AT029463,
5174AH,
AR1316,
MFCD03840057,
AS-45086,
X-3002,
3-(4-Chlorobenzyl)piperidine-3-ethylcarboxylate, HCl,
ethyl 3-[(4-chlorophenyl)methyl]piperidine-3-carboxylate hydrochloride,
Ethyl 3-[(4-chlorophenyl)methyl]piperidine-3-carboxylate--hydrogen chloride (1/1),
HIWGELPPGDRVAB-UHFFFAOYSA-N,
3-(4-Chloro-benzyl)-piperidine-3-carboxylic acid ethyl ester HCl,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.238g/mol |
| Monoisotopic Mass | 317.095g/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