Pelletierine hydrochloride, (+)-
Basic information
- CAS
1250851-48-9- Standard SMILES
CC(=O)C[C@@H]1CCCCN1.Cl- InChIKey
FMOKUKPRJSMPOI-QRPNPIFTSA-N- Molecular formula
- C8H16ClNO
- Average molar mass
- 177.67 g/mol
- Monoisotopic mass
- 177.0920418
Names & identifiers
- Preferred name
- Pelletierine hydrochloride, (+)-
- IUPAC
- 1-[(2S)-piperidin-2-yl]propan-2-one;hydrochloride
Names & synonyms
Pelletierine hydrochloride, (+)-UNII-Q107JES56YQ107JES56Y2-Propanone, 1-(2S)-2-piperidinyl-, hydrochloride (1:1)1250851-48-9(+)-pelletierine hydrochlorideQ27286865
Database identifiers
- CAS
1250851-48-9- PubChem CID
- 72942005
- UNII
- Q107JES56Y
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
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Compound notes
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