Basic information
- CAS
183992-51-0- Standard SMILES
CNC(=O)Oc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1- InChIKey
LTXVPQKNWWQOSX-UHFFFAOYSA-N- Molecular formula
- C29H28F6N2O5
- Average molar mass
- 598.5 g/mol
- Monoisotopic mass
- 598.19024097
Names & identifiers
- Preferred name
- 4-{[4-(Hydroxy{bis[4-(trifluoromethoxy)phenyl]}methyl)-1-piperidinyl]methyl}phenyl methylcarbamate
- IUPAC
- [4-[[4-[hydroxy-bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]methyl]phenyl] N-methylcarbamate
- English name
- 4-{[4-(hydroxy{bis[4-(trifluoromethoxy)phenyl]}methyl)-1-piperidinyl]methyl}phenyl methylcarbamate
- Molecular formula
- C29H28F6N2O5
- Molecular weight
- 598.5334392
Names & synonyms
4-{[4-(hydroxy{bis[4-(trifluoromethoxy)phenyl]}methyl)-1-piperidinyl]methyl}phenyl methylcarbamateLTXVPQKNWWQOSX-UHFFFAOYSA-NAK-105/40836379SCHEMBL8948410[4-[[4-[hydroxy-bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]methyl]phenyl] N-methylcarbamate
Database identifiers
- CAS
183992-51-0- PubChem CID
- 11837567
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 806
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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