Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cccc(C#N)c3)c2)CC1- InChIKey
LNRGXVHSVISERB-UHFFFAOYSA-N- Molecular formula
- C23H27N3O2
- Average molar mass
- 377.5 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-[(3'-cyano-3-biphenylyl)methyl]-1-piperazinecarboxylate
- IUPAC
- tert-butyl 4-[[3-(3-cyanophenyl)phenyl]methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL1632572LNRGXVHSVISERB-UHFFFAOYSA-N1,1-dimethylethyl 4-[(3'-cyano-3-biphenylyl)methyl]-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57736697
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 568
Related reactions
4 records
Compound notes
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