| CAS Number | 1240528-40-8 |
| Catalog Number | AG01A949 |
| Chemical Name | Methyl 1-(piperidin-4-yl)-1H-pyrrole-2-carboxylate hydrochloride |
| IUPAC Name | methyl 1-piperidin-4-ylpyrrole-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C11H16N2O2.ClH/c1-15-11(14)10-3-2-8-13(10)9-4-6-12-7-5-9;/h2-3,8-9,12H,4-7H2,1H3;1H |
| InChI Key | BKMNAOCTUIEWPI-UHFFFAOYSA-N |
| MDL Number | MFCD16547636 |
| Molecular Formula | C11H17ClN2O2 |
| Molecular Weight | 244.7179 |
| SMILES | Cl.COC(C1N(C2CCNCC2)C=CC=1)=O |
| Synonyms | methyl 1-(piperidin-4-yl)-1H-pyrrole-2-carboxylate hydrochloride,
1240528-40-8,
EN300-64141,
AC1Q3BWG,
Z1262327481,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.719g/mol |
| Monoisotopic Mass | 244.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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