| CAS Number | 863669-55-0 |
| Catalog Number | AG019OJY |
| Chemical Name | 1-(Ethylsulfonyl)-4-phenylpiperidine-4-carboxylic acid |
| IUPAC Name | 1-ethylsulfonyl-4-phenylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C14H19NO4S/c1-2-20(18,19)15-10-8-14(9-11-15,13(16)17)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,17) |
| InChI Key | LWZSKVIROIBLGI-UHFFFAOYSA-N |
| MDL Number | MFCD07339173 |
| Molecular Formula | C14H19NO4S |
| Molecular Weight | 297.3700 |
| SMILES | CCS(N1CCC(C2=CC=CC=C2)(C(O)=O)CC1)(=O)=O |
| Synonyms | 1-(ethanesulfonyl)-4-phenylpiperidine-4-carboxylic acid,
1-(ethylsulfonyl)-4-phenylpiperidine-4-carboxylic acid,
863669-55-0,
AC1NLRBF,
AC1Q38CT,
SCHEMBL6498727,
CTK6G4656,
ZINC4207439,
AKOS008966191,
MCULE-1900842041,
NE27160,
EN300-14215,
SR-01000074472,
1-ethylsulfonyl-4-phenylpiperidine-4-carboxylic acid,
SR-01000074472-1,
Z56153792,
1-(ethylsulfonyl)-4-phenylpiperidine-4-carboxylic acid, AldrichCPR,
CID4962899,
1-ethylsulfonyl-4-phenyl-piperidine-4-carboxylic Acid,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.369g/mol |
| Monoisotopic Mass | 297.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number