4-({[4-(2-fluorophenyl)-3-({[(1R)-1-(1-naphthyl)ethyl]amino}methyl)piperidin-1-yl]carbonyl}oxy)benzoic acid
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Basic information
- Standard SMILES
C[C@@H](NCC1CN(C(=O)Oc2ccc(C(=O)O)cc2)CCC1c1ccccc1F)c1cccc2ccccc12- InChIKey
QHLYOGLWBFSPHI-ILUYOPMWSA-N- Molecular formula
- C32H31FN2O4
- Average molar mass
- 526.6 g/mol
Names & identifiers
- Preferred name
- 4-({[4-(2-fluorophenyl)-3-({[(1R)-1-(1-naphthyl)ethyl]amino}methyl)piperidin-1-yl]carbonyl}oxy)benzoic acid
- IUPAC
- 4-[4-(2-fluorophenyl)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]piperidine-1-carbonyl]oxybenzoic acid
Names & synonyms
SCHEMBL1095491QHLYOGLWBFSPHI-ILUYOPMWSA-N4-({[4-(2-fluorophenyl)-3-({[(1R)-1-(1-naphthyl)ethyl]amino}methyl)piperidin-1-yl]carbonyl}oxy)benzoic acid
Database identifiers
- PubChem CID
- 59178656
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 818
Related reactions
1 records
Compound notes
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