Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1COc1cncc(N2CCC(CCOCc3ccc(F)cc3)CC2)c1- InChIKey
QBIOEGFNUOXLFC-UHFFFAOYSA-N- Molecular formula
- C29H40FN3O4
- Average molar mass
- 513.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-[[5-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-[[5-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 72273231
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 689
Related reactions
1 records
Compound notes
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