Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(I)cc2)CC1- InChIKey
JJOWMOZSVFXZLF-UHFFFAOYSA-N- Molecular formula
- C17H25IN2O2
- Average molar mass
- 416.3 g/mol
Names & identifiers
- Preferred name
- 4-Aminomethyl-4-(4-iodo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(aminomethyl)-4-(4-iodophenyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL3151136JJOWMOZSVFXZLF-UHFFFAOYSA-N4-aminomethyl-4-(4-iodo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 20779474
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
7 records
Compound notes
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