3-{3-[4-(3-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile
Basic information
- CAS
6269-62-1- Standard SMILES
Cc1cccc(N2CCN(CCCOCCC#N)CC2)c1- InChIKey
MSHBNMHPIWCZKW-UHFFFAOYSA-N- Molecular formula
- C17H25N3O
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.19976243
Names & identifiers
- Preferred name
- 3-{3-[4-(3-Methylphenyl)piperazin-1-yl]propoxy}propanenitrile
- IUPAC
- 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]propanenitrile
Names & synonyms
6269-62-13-{3-[4-(3-methylphenyl)piperazin-1-yl]propoxy}propanenitrileNSC33331DTXSID60283771NSC-33331
Database identifiers
- CAS
6269-62-1- PubChem CID
- 234063
- DTXSID
DTXSID60283771
Properties
Computed structural properties
- XLogP
- 2.1
- 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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