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Basic information
- Standard SMILES
COC1CC(N2CCN(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2C)c2ccc(C(F)(F)F)cc21- InChIKey
OLKQROYFLFCLLQ-UHFFFAOYSA-N- Molecular formula
- C27H40F3N3O3
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-[4-[3-methoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[3-methoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate
Names & synonyms
OLKQROYFLFCLLQ-UHFFFAOYSA-Ntert-butyl 4-[4-[3-methoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carboxylate
Database identifiers
- PubChem CID
- 72531954
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 778
Related reactions
1 records
Compound notes
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