| CAS Number | 81215-42-1 |
| Catalog Number | AG00ID66(AGN-PC-0WD4Z9) |
| Chemical Name | Methyl 2-(piperidin-1-yl)benzoate |
| IUPAC Name | methyl 2-piperidin-1-ylbenzoate |
| InChI | InChI=1S/C13H17NO2/c1-16-13(15)11-7-3-4-8-12(11)14-9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3 |
| InChI Key | PQJQUCKCUILXOK-UHFFFAOYSA-N |
| MDL Number | MFCD01569808 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | COC(C1=C(N2CCCCC2)C=CC=C1)=O |
| Synonyms | Methyl 2-(piperidin-1-yl)benzoate,
81215-42-1,
AC1MDZXB,
Oprea1_316972,
methyl 2-piperidin-1-ylbenzoate,
ZINC1038018,
2-Piperidinobenzoic acid methyl ester,
AKOS022187460,
AJ-24737,
Z1195909194,
ZINC01038018,
CID2798385,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number