Basic information
- CAS
1800302-51-5- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C#N)CC1- InChIKey
XERCTGRKYVZTJP-UHFFFAOYSA-N- Molecular formula
- C18H24N2O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.18377801
Names & identifiers
- Preferred name
- 1-Piperidinecarboxylic acid, 4-[(2-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 4-[(2-cyanophenyl)methyl]piperidine-1-carboxylate
Names & synonyms
1800302-51-51-Piperidinecarboxylic acid, 4-[(2-cyanophenyl)methyl]-, 1,1-dimethylethyl esterTert-butyl 4-[(2-cyanophenyl)methyl]piperidine-1-carboxylateSCHEMBL16825221DTXSID801133826
Database identifiers
- CAS
1800302-51-5- PubChem CID
- 11601850
- DTXSID
DTXSID801133826
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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