3-(4-Benzylpiperazine-1-carbonyl)benzonitrile
Basic information
- CAS
852414-30-3- Standard SMILES
N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1- InChIKey
SDBQGBUGGIMDKQ-UHFFFAOYSA-N- Molecular formula
- C19H19N3O
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.15281224
Names & identifiers
- Preferred name
- 3-(4-Benzylpiperazine-1-carbonyl)benzonitrile
- IUPAC
- 3-(4-benzylpiperazine-1-carbonyl)benzonitrile
Names & synonyms
3-(4-benzylpiperazine-1-carbonyl)benzonitrile852414-30-3Piperazine, 1-(3-cyanobenzoyl)-4-(phenylmethyl)-SCHEMBL13149174DTXSID90406537AKOS017051606CS-0305451Z27762516
Database identifiers
- CAS
852414-30-3- PubChem CID
- 4780397
- DTXSID
DTXSID90406537
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…