| CAS Number | 773829-96-2 |
| Catalog Number | AG00G4LJ(AGN-PC-03LN26) |
| Chemical Name | 1-(2-Methoxyethyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C9H17NO3/c1-13-7-6-10-4-2-8(3-5-10)9(11)12/h8H,2-7H2,1H3,(H,11,12) |
| InChI Key | IJRGJHKHDNEQRY-UHFFFAOYSA-N |
| MDL Number | MFCD09696865 |
| Molecular Formula | C9H17NO3 |
| Molecular Weight | 187.2362 |
| SMILES | C(O)(=O)C1CCN(CC1)CCOC |
| Synonyms | 1-(2-METHOXYETHYL)PIPERIDINE-4-CARBOXYLIC ACID,
773829-96-2,
MFCD09696865,
SCHEMBL791727,
IJRGJHKHDNEQRY-UHFFFAOYSA-N,
ALBB-028003,
ZX-AN052256,
ZX-CM005057,
ZINC16941816,
AKOS003658222,
AJ-69618,
BBV-21721420,
BB 0220134,
1-(2-methoxyethyl)-4-piperidinecarboxylic acid,
Y-5311,
4-Piperidinecarboxylic acid, 1-(2-methoxyethyl)-,
1-(2-methoxyethyl)piperidine-4-carboxylic acid(SALTDATA,
1-(2-Methoxyethyl)piperidine-4-carboxylic acidhydrochloride,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.239g/mol |
| Monoisotopic Mass | 187.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number