Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3cccc(CN)c3)n2)CCN1C(=O)OC(C)(C)C- InChIKey
ULTIBGPVPCNTNN-KRWDZBQOSA-N- Molecular formula
- C23H32N4O2
- Average molar mass
- 396.5 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl (2S)-4-({6-[3-(aminomethyl)phenyl]-2-pyridinyl}methyl)-2-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (2S)-4-[[6-[3-(aminomethyl)phenyl]-2-pyridinyl]methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1633735ULTIBGPVPCNTNN-KRWDZBQOSA-N1,1-dimethylethyl (2S)-4-({6-[3-(aminomethyl)phenyl]-2-pyridinyl}methyl)-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57736688
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 535
Related reactions
1 records
Compound notes
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