| CAS Number | 644981-94-2 |
| Catalog Number | AG00ED40(AGN-PC-0TCQIG) |
| Chemical Name | N-BOC-4-(P-CHLOROPHENYL)-4-PIPERIDINE CARBOXYLIC ACID |
| IUPAC Name | 4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C17H22ClNO4/c1-16(2,3)23-15(22)19-10-8-17(9-11-19,14(20)21)12-4-6-13(18)7-5-12/h4-7H,8-11H2,1-3H3,(H,20,21) |
| InChI Key | UVPSYFHQUVHQJE-UHFFFAOYSA-N |
| MDL Number | MFCD05861537 |
| Molecular Formula | C17H22ClNO4 |
| Molecular Weight | 339.8139 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)O |
| Synonyms | 644981-94-2,
1-(TERT-BUTOXYCARBONYL)-4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID,
SCHEMBL654813,
N-Boc-4-(4-chlorophenyl)-4-piperidinecarboxylic acid,
DTXSID50647626,
UVPSYFHQUVHQJE-UHFFFAOYSA-N,
ZINC2553933,
4589AH,
MFCD05861537,
AKOS025404040,
AS-42500,
AB0083227,
1-Boc-4-(4-chlorophenyl)-4-carboxypiperidine,
Boc-4-(4-chlorophenyl)-piperidine-4-carboxylic acid,
N-Boc-4-(4-chlorophenyl)-4-piperidine carboxylic acid,
N-BOC-4-(P-CHLOROPHENYL)-4-PIPERIDINE CARBOXYLIC ACID,
4-(4-chloro-phenyl)-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester,
C17H22ClNO4,
A-8296,
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| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.816g/mol |
| Monoisotopic Mass | 339.124g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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