Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(I)ccc2O)CC1- InChIKey
ARGZBEVQUNZXFJ-UHFFFAOYSA-N- Molecular formula
- C16H21IN2O4
- Average molar mass
- 432.25 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-hydroxy-5-iodobenzoyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-hydroxy-5-iodobenzoyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL3744440ARGZBEVQUNZXFJ-UHFFFAOYSA-NAKOS033888309DB-105867AB01001931-01Z238072172tert-butyl 4-(2-hydroxy-5-iodobenzoyl)piperazine-1-carboxylate943732-59-0
Database identifiers
- PubChem CID
- 31121968
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
4 records
Compound notes
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