Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2cc(N3CCOCC3)ccc2-c2ccc(Cl)cc2)CC1- InChIKey
QLAKUDNAFUYNCG-UHFFFAOYSA-N- Molecular formula
- C26H34ClN3O3
- Average molar mass
- 472 g/mol
- Monoisotopic mass
- 471.2288696
Names & identifiers
- Preferred name
- Tert-butyl 4-((4'-chloro-4-morpholinobiphenyl-2-yl)methyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[2-(4-chlorophenyl)-5-morpholin-4-ylphenyl]methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL1958222QLAKUDNAFUYNCG-UHFFFAOYSA-Ntert-butyl 4-((4'-chloro-4-morpholinobiphenyl-2-yl)methyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 67227322
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 621
Related reactions
7 records
Compound notes
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