Basic information
- Standard SMILES
Cc1cc(N)ncc1CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1- InChIKey
RTWSPYYFPKIDOO-ZDUSSCGKSA-N- Molecular formula
- C17H28N4O2
- Average molar mass
- 320.4 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl (2S)-4-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (2S)-4-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL13404765RTWSPYYFPKIDOO-ZDUSSCGKSA-N1,1-Dimethylethyl (2S)-4-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 59262175
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
4 records
Compound notes
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