1-Phenyl-2-(piperidin-1-yl)ethyl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
97157-06-7- Standard SMILES
O=C(OC(C[NH+]1CCCCC1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
QSUUPFLPJAKAJA-UHFFFAOYSA-N- Molecular formula
- C27H30ClNO3
- Average molar mass
- 452 g/mol
- Monoisotopic mass
- 451.1914215
Names & identifiers
- Preferred name
- 1-Phenyl-2-(piperidin-1-yl)ethyl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- (1-phenyl-2-piperidin-1-ium-1-ylethyl) 2-hydroxy-2,2-diphenylacetate chloride
Names & synonyms
97157-06-7DTXSID409140961-Phenyl-2-(piperidin-1-yl)ethyl hydroxy(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1056299DTXCID201343091Benactizina N. 53 [Italian]Benactizina N. 53BENZILIC ACID, alpha-(PIPERIDINOMETHYL)BENZYL ESTER, HYDROCHLORIDE1-Piperidineethanol, alpha-phenyl-, benzilate, hydrochloride
Database identifiers
- CAS
97157-06-7- PubChem CID
- 57172
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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