Basic information
- Standard SMILES
COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2cc(F)ccc2CCNC(C)=O)cc1- InChIKey
RNLXQHBUHFVUAH-UHFFFAOYSA-N- Molecular formula
- C39H51FN2O8
- Average molar mass
- 694.8 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 3-{2-[2-(2-acetylaminoethyl)-5-fluorophenoxy]ethoxy}-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[2-[2-(2-acetamidoethyl)-5-fluorophenoxy]ethoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3071466RNLXQHBUHFVUAH-UHFFFAOYSA-Ntert-Butyl 3-{2-[2-(2-acetylaminoethyl)-5-fluorophenoxy]ethoxy}-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68501136
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 990
Related reactions
3 records
Compound notes
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