| CAS Number | 170838-23-0 |
| Catalog Number | AG00AP5A(AGN-PC-01YVDO) |
| Chemical Name | 2-PIPERIDIN-4-YL-BENZOIC ACID METHYL ESTER HCL |
| IUPAC Name | methyl 2-piperidin-4-ylbenzoate;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c1-16-13(15)12-5-3-2-4-11(12)10-6-8-14-9-7-10;/h2-5,10,14H,6-9H2,1H3;1H |
| InChI Key | OXRISMDMYBOCLU-UHFFFAOYSA-N |
| MDL Number | MFCD02179143 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.COC(=O)C1=C(C=CC=C1)C1CCNCC1 |
| Synonyms | Methyl 2-(piperidin-4-yl)benzoate hydrochloride,
170838-23-0,
2-Piperidin-4-yl-benzoic acid methyl ester HCl,
SCHEMBL5729720,
MFCD02179143,
RW1119,
DB-012240,
FT-0750291,
2-piperidin-4-ylbenzoic acid methyl ester hydrochloride,
176526-08-2,
1032815-07-8,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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