Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1- InChIKey
HLFPMKAQRQWOPK-UHFFFAOYSA-N- Molecular formula
- C16H22N6O2
- Average molar mass
- 330.38 g/mol
Names & identifiers
- Preferred name
- n-Tert-butoxycarbonyl-4-[4-(2h-tetrazol-5-yl)phenyl]piperazine
- IUPAC
- tert-butyl 4-[4-(2H-tetrazol-5-yl)phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL7219737HLFPMKAQRQWOPK-UHFFFAOYSA-Nn-tert-butoxycarbonyl-4-[4-(2h-tetrazol-5-yl)phenyl]piperazine
Database identifiers
- PubChem CID
- 18504846
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
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