Basic information
- CAS
13147-07-4- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[N+](C)([O-])CC1- InChIKey
YYHWYXQYNPKPQL-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxide
- IUPAC
- ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate
Names & synonyms
Pethidine N-oxide13147-07-4Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester, 1-oxideMeperidine N-oxidePethidine Impurity 17YYHWYXQYNPKPQL-UHFFFAOYSA-N4-(ethoxycarbonyl)-1-methyl-4-phenylpiperidine 1-oxideEthyl 1-methyl-4-phenyl-4-piperidinecarboxylate 1-oxide #
Database identifiers
- CAS
13147-07-4- PubChem CID
- 21067
- Nikkaji
- J541.968I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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