2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
97156-98-4- Standard SMILES
O=C(OCC(c1ccccc1)[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
QLSLEVBNBCJVSL-UHFFFAOYSA-N- Molecular formula
- C27H30ClNO2
- Average molar mass
- 436 g/mol
- Monoisotopic mass
- 435.1965069
Names & identifiers
- Preferred name
- 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- (2-phenyl-2-piperidin-1-ium-1-ylethyl) 2,2-diphenylacetate chloride
Names & synonyms
97156-98-4DTXSID009140972-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)RefChem:1064134DTXCID901343092FC 620Diphenylacetic acid beta-piperidinophenethyl ester hydrochlorideACETIC ACID, DIPHENYL-, beta-PIPERIDINOPHENETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
97156-98-4- PubChem CID
- 57170
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 479
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Compound notes
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