| CAS Number | 1146290-39-2 |
| Catalog Number | AG019V2L |
| Chemical Name | 1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid |
| IUPAC Name | 1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H17N3O2/c1-13-7-4-12-10(13)8-14-5-2-9(3-6-14)11(15)16/h4,7,9H,2-3,5-6,8H2,1H3,(H,15,16) |
| InChI Key | CFMOKBUCAUKLKX-UHFFFAOYSA-N |
| MDL Number | MFCD11858103 |
| Molecular Formula | C11H17N3O2 |
| Molecular Weight | 223.2716 |
| SMILES | CN1C(CN2CCC(C(O)=O)CC2)=NC=C1 |
| Synonyms | 1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid,
1146290-39-2,
AC1Q3YYV,
CTK7J0221,
ZINC94972565,
AKOS009484233,
MCULE-1539895547,
NE58318,
EN300-43542,
AB00999434-01,
Z445226238,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.276g/mol |
| Monoisotopic Mass | 223.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number