Basic information
- Standard SMILES
CCOC(=O)c1ccc(N2CCC(Nc3ccc(C(OC)OC)cc3)CC2)cc1- InChIKey
LXPBWFITBNJGDE-UHFFFAOYSA-N- Molecular formula
- C23H30N2O4
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.22055744
Names & identifiers
- Preferred name
- Ethyl 4-{4-[4-(dimethoxymethyl)anilino]-1-piperidinyl}benzoate
- IUPAC
- ethyl 4-[4-[4-(dimethoxymethyl)anilino]piperidin-1-yl]benzoate
Names & synonyms
SCHEMBL7095345LXPBWFITBNJGDE-UHFFFAOYSA-NEthyl 4-{4-[4-(dimethoxymethyl)anilino]-1-piperidinyl}benzoate
Database identifiers
- PubChem CID
- 18173737
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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