Basic information
- Standard SMILES
CN(CCCC1(c2ccc(F)cc2)OCCO1)CC(=O)N1CCC(Oc2cccc(Cl)c2)CC1.O=C(O)C(=O)O- InChIKey
KBAHXNNWBXLRRF-UHFFFAOYSA-N- Molecular formula
- C28H34ClFN2O8
- Average molar mass
- 581 g/mol
Names & identifiers
- Preferred name
- 1-{N-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-N-methylaminoacetyl}-4-(3-chlorophenoxy)piperidine oxalate
- IUPAC
- 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl-methylamino]ethanone;oxalic acid
Names & synonyms
SCHEMBL10963214KBAHXNNWBXLRRF-UHFFFAOYSA-N1-{N-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-N-methylaminoacetyl}-4-(3-chlorophenoxy)piperidine oxalate
Database identifiers
- PubChem CID
- 20283129
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 706
Related reactions
4 records
Compound notes
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