Basic information
- Standard SMILES
N#CCN1CCN(CC2CCCO2)CC1- InChIKey
NXBQAGNHPGIXSX-UHFFFAOYSA-N- Molecular formula
- C11H19N3O
- Average molar mass
- 209.29 g/mol
- Monoisotopic mass
- 209.15281224
Names & identifiers
- Preferred name
- [4-(Tetrahydro-furan-2-ylmethyl)-piperazin-1-yl]-acetonitrile
- IUPAC
- 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetonitrile
Names & synonyms
SCHEMBL1306634NXBQAGNHPGIXSX-UHFFFAOYSA-NAKOS006037348[4-(Tetrahydro-furan-2-ylmethyl)-piperazin-1-yl]-acetonitrile
Database identifiers
- PubChem CID
- 55027705
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 39.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
2 records
Compound notes
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