4-(3-Hydroxypiperidino)-tetrahydro-4h-thiopyran-4-carbonitrile
Basic information
- Standard SMILES
N#CC1(N2CCCC(O)C2)CCSCC1- InChIKey
DAYWORNEAJMZES-UHFFFAOYSA-N- Molecular formula
- C11H18N2OS
- Average molar mass
- 226.34 g/mol
- Monoisotopic mass
- 226.11398438
Names & identifiers
- Preferred name
- 4-(3-Hydroxypiperidino)-tetrahydro-4h-thiopyran-4-carbonitrile
- IUPAC
- 4-(3-hydroxypiperidin-1-yl)thiane-4-carbonitrile
Names & synonyms
SCHEMBL7701492DAYWORNEAJMZES-UHFFFAOYSA-N4-(3-hydroxypiperidino)-tetrahydro-4h-thiopyran-4-carbonitrile
Database identifiers
- PubChem CID
- 18323958
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Related reactions
1 records
Compound notes
Loading…