4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate
Basic information
- CAS
101030-76-6- Standard SMILES
CCC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C(C)(C)C1N1CCCCC1- InChIKey
ORGGZMATFTXBQJ-UHFFFAOYSA-N- Molecular formula
- C27H35NO3
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.26169398
Names & identifiers
- Preferred name
- 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate
- IUPAC
- (4-ethyl-2,2-dimethyl-3-piperidin-1-ylcyclobutyl) 2-hydroxy-2,2-diphenylacetate
- English name
- Benzilic acid, 2,2-dimethyl-4-ethyl-3-piperidinocyclobutyl ester
- Molecular formula
- C27H35NO3
- Molecular weight
- 421.57
Names & synonyms
101030-76-6DTXSID809059084-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetateRefChem:1070613DTXCID901335009Benzilic acid, 2,2-dimethyl-4-ethyl-3-piperidinocyclobutyl esterNSC665731(4-ethyl-2,2-dimethyl-3-piperidin-1-ylcyclobutyl) 2-hydroxy-2,2-diphenylacetate2-Ethyl-4,4-dimethyl-3-(1-piperidine)cyclobutyl benzilateCYCLOBUTANOL, 2,2-DIMETHYL-4-ETHYL-3-PIPERIDINO-, BENZILATE (ester)CHEMBL19976494-Ethyl-2,2-dimethyl-3-(1-piperidinyl)cyclobutyl hydroxy(diphenyl)acetate
Show more names
Benzeneacetic acid, α-hydroxy-α-phenyl-, 4-ethyl-2,2-dimethyl-3-(1-piperidinyl)cyclobutyl ester
NSC-665731NCI60_0227154-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxydi(phenyl)acetate[4-ethyl-2,2-dimethyl-3-(1-piperidyl)cyclobutyl] 2-hydroxy-2,2-diphenyl-acetate
Database identifiers
- CAS
101030-76-6- PubChem CID
- 58160
- DTXSID
DTXSID80905908- ChEMBL
CHEMBL1997649- Nikkaji
- J67.775B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- HS Code
- 2933399090 · 2933399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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