alpha-Phenylpiperidine-4-acetonitrile monohydrochloride
Basic information
- CAS
83898-13-9- Standard SMILES
N#CC(c1ccccc1)C1CCNCC1- InChIKey
KMTKDSAEYAXGJJ-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- alpha-Phenylpiperidine-4-acetonitrile monohydrochloride
- IUPAC
- 2-phenyl-2-piperidin-4-ylacetonitrile
Names & synonyms
2-phenyl-2-(piperidin-4-yl)acetonitrileEINECS 281-221-1NSC 80680alpha-Phenylpiperidine-4-acetonitrile monohydrochloridealpha-Phenylpiperidine-4-acetonitrile HCl175666-57-62-phenyl-2-piperidin-4-ylacetonitrileSCHEMBL8191324EN300-6477150
Database identifiers
- CAS
83898-13-9- PubChem CID
- 416660
- Nikkaji
- J304.044E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
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Related reactions
2 records
Compound notes
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