Basic information
- CAS
75783-06-1- Standard SMILES
CCC(=O)C(CC(C)[NH+]1CCCCC1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
DTXPDSQEMZRBBG-UHFFFAOYSA-N- Molecular formula
- C24H32ClNO
- Average molar mass
- 386 g/mol
- Monoisotopic mass
- 385.2172423
Overview
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Names & identifiers
- Preferred name
- 3-Heptanone, 4,4-diphenyl-6-piperidino-, hydrochloride
- IUPAC
- 4,4-diphenyl-6-piperidin-1-ium-1-ylheptan-3-one chloride
Names & synonyms
EINECS 278-307-6UNII-8VY00AJ0RL3-HEPTANONE, 4,4-DIPHENYL-6-PIPERIDINO-, HYDROCHLORIDE6-Piperidino-4,4-diphenylheptan-3-one hydrochloride4,4-Diphenyl-6-piperidin-1-ylheptan-3-one hydrochloride
Database identifiers
- CAS
75783-06-1- PubChem CID
- 53348
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
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Compound notes
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