(3R)-1-(6-cyano-1-benzothien-3-yl)-3-methylpiperazine
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Basic information
- Standard SMILES
C[C@@H]1CN(c2csc3cc(C#N)ccc23)CCN1- InChIKey
JTASHBQGWFAFFN-SNVBAGLBSA-N- Molecular formula
- C14H15N3S
- Average molar mass
- 257.36 g/mol
Names & identifiers
- Preferred name
- (3R)-1-(6-cyano-1-benzothien-3-yl)-3-methylpiperazine
- IUPAC
- 3-[(3R)-3-methylpiperazin-1-yl]-1-benzothiophene-6-carbonitrile
Names & synonyms
SCHEMBL5088742JTASHBQGWFAFFN-SNVBAGLBSA-N(3R)-1-(6-cyano-1-benzothien-3-yl)-3-methylpiperazine
Database identifiers
- PubChem CID
- 69306552
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
4 records
Compound notes
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