1,1-dimethylethyl (2S)-4-({5-[3-(aminomethyl)phenyl]-2-thienyl)methyl)-2-methyl-1-piperazinecarboxylate
Basic information
- Standard SMILES
C[C@H]1CN(Cc2ccc(-c3cccc(CN)c3)s2)CCN1C(=O)OC(C)(C)C- InChIKey
GVHPTESDQBVYTJ-INIZCTEOSA-N- Molecular formula
- C22H31N3O2S
- Average molar mass
- 401.6 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl (2S)-4-({5-[3-(aminomethyl)phenyl]-2-thienyl)methyl)-2-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (2S)-4-[[5-[3-(aminomethyl)phenyl]thiophen-2-yl]methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
1,1-dimethylethyl (2S)-4-({5-[3-(aminomethyl)phenyl]-2-thienyl)methyl)-2-methyl-1-piperazinecarboxylate1,1-dimethylethyl (2S)-4-({5-[3-(aminomethyl)phenyl]-2-thienyl}methyl)-2-methyl-1-piperazinecarboxylateSCHEMBL1632744GVHPTESDQBVYTJ-INIZCTEOSA-N
Database identifiers
- PubChem CID
- 57736708
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 524
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Related reactions
2 records
Compound notes
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