| CAS Number | 951624-09-2 |
| Catalog Number | AG00IIRZ(AGN-PC-0WBOEY) |
| Chemical Name | Tert-butyl 3-(4-chlorophenyl)-3-hydroxypiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(4-chlorophenyl)-3-hydroxypiperidine-1-carboxylate |
| InChI | InChI=1S/C16H22ClNO3/c1-15(2,3)21-14(19)18-10-4-9-16(20,11-18)12-5-7-13(17)8-6-12/h5-8,20H,4,9-11H2,1-3H3 |
| InChI Key | RBRPGHIERRRXHR-UHFFFAOYSA-N |
| MDL Number | MFCD09788611 |
| Molecular Formula | C16H22ClNO3 |
| Molecular Weight | 311.8038 |
| SMILES | CC(OC(N1CC(C2=CC=C(Cl)C=C2)(O)CCC1)=O)(C)C |
| Synonyms | TERT-BUTYL 3-(4-CHLOROPHENYL)-3-HYDROXYPIPERIDINE-1-CARBOXYLATE,
951624-09-2,
1-Boc-3-(4-chlorophenyl)-3-hydroxypiperidine,
CTK6G9477,
DTXSID40672826,
7756AH,
AR2186,
MFCD09788611,
AKOS015954851,
AS-45291,
AB0086635,
X-1165,
C16H22ClNO3,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.806g/mol |
| Monoisotopic Mass | 311.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number