Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(C#N)cc3)cn2)CC1- InChIKey
LXWCMECVLYTMCW-UHFFFAOYSA-N- Molecular formula
- C20H23N5O2
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 4-[5-(4-Cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[5-(4-cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL6782636LXWCMECVLYTMCW-UHFFFAOYSA-N4-[5-(4-Cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid tert-butyl ester4-[5-(4Cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69894083
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
2 records
Compound notes
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