CAS
937676-32-9 Purity
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937676-32-9 Purity
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The molecular formula is C13H18N2O2.
The molecular weight is 234.29 g/mol.
The IUPAC name is N-(2-methoxyphenyl)piperidine-4-carboxamide.
The InChI is InChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3,(H,15,16).
The InChIKey is GYJMXCUAHCRMAS-UHFFFAOYSA-N.
The canonical SMILES representation is COC1=CC=CC=C1NC(=O)C2CCNCC2.
The XLogP3 value is 1.1.
There are 2 hydrogen bond donor counts.
There are 3 rotatable bond counts.
Yes, the compound is canonicalized.