Basic information
- CAS
66902-47-4- Standard SMILES
C[NH+]1CCCCC1CCCOC(=O)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
HGJMSFBUFDCNPE-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1965069
Names & identifiers
- Preferred name
- 3-(1-Methylpiperidin-2-yl)propyl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- 3-(1-methylpiperidin-1-ium-2-yl)propyl 2,2-diphenylacetate chloride
Names & synonyms
66902-47-4DTXSID009855253-(1-Methylpiperidin-2-yl)propyl diphenylacetate--hydrogen chloride (1/1)RefChem:1066398DTXCID001412717Diphenylacetic acid 3-(1-methyl-2-piperidyl)propyl ester hydrochlorideACETIC ACID, DIPHENYL-, 3-(1-METHYL-2-PIPERIDYL)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66902-47-4- PubChem CID
- 48252
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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