Basic information
- CAS
61612-63-3- Standard SMILES
COc1cc(C=Nc2ccc(C)cc2)ccc1OC(=O)CN1CCCCC1.Cl- InChIKey
MCFLVVZJIFNNMW-UHFFFAOYSA-N- Molecular formula
- C22H27ClN2O3
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1710204
Names & identifiers
- Preferred name
- 1-Piperidineacetic acid, 2-methoxy-4-(((4-methylphenyl)imino)methyl)phenyl ester, monohydrochloride
- IUPAC
- [2-methoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 2-piperidin-1-ylacetate;hydrochloride
Names & synonyms
61612-63-34-Methylanilino-(3-methoxy-4-piperidinoacetoxy)benzylidene hydrochloride1-Piperidineacetic acid, 2-methoxy-4-(((4-methylphenyl)imino)methyl)phenyl ester, monohydrochloride
Database identifiers
- CAS
61612-63-3- PubChem CID
- 3046151
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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