Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride
Basic information
- CAS
1952-14-3- Standard SMILES
C[NH+]1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[Cl-]- InChIKey
KDXCCWHVFRELBS-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO2
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1495567
Overview
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Names & identifiers
- Preferred name
- Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride
- IUPAC
- (1-methylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride
Names & synonyms
Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride1-Methyl-4-piperidyl ester of diphenylacetic acid hydrochlorideACETIC ACID, DIPHENYL-, 1-METHYL-4-PIPERIDYL ESTER, HYDROCHLORIDE(1-methylpiperidin-1-ium-4-yl) 2,2-diphenylacetate;chloride
Database identifiers
- CAS
1952-14-3- PubChem CID
- 16050
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 346
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