Basic information
- CAS
6269-63-2- Standard SMILES
Cc1ccccc1N1CCN(CCCOCCC#N)CC1- InChIKey
FGMWZZYPMRCJQJ-UHFFFAOYSA-N- Molecular formula
- C17H25N3O
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.19976243
Names & identifiers
- Preferred name
- 3-[3-[4-(2-Methylphenyl)piperazin-1-yl]propoxy]propanenitrile
- IUPAC
- 3-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitrile
Names & synonyms
6269-63-23-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]propanenitrile3-{3-[4-(2-methylphenyl)piperazin-1-yl]propoxy}propanenitrileNSC33332DTXSID20283772NSC-33332
Database identifiers
- CAS
6269-63-2- PubChem CID
- 234064
- DTXSID
DTXSID20283772
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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