2-(1-Piperidinyl)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
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Basic information
- CAS
4546-39-8- Standard SMILES
O=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1- InChIKey
RZWPJFMNFATBEG-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Overview
Pipethanate is a diarylmethane.
Names & identifiers
- Preferred name
- 2-(1-Piperidinyl)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
- IUPAC
- 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
- English name
- Pipethanate
- Molecular formula
- C21H25NO3
- Molecular weight
- 339.43
Names & synonyms
PiperilatePipethanate4546-39-8PipetanatoPipethanatumP32MG14U83DTXSID20234842-(1-Piperidinyl)ethyl alpha-hydroxy-alpha-phenylbenzeneacetateRefChem:1060682DTXCID103484DTXCID5028299DTXSID7048324
Show more names
Benzilic acid 2-piperidinoethyl esterHydroxydiphenylacetic acid 2-piperidinoethyl esterα-Hydroxy-α,α-diphenylacetic acid 2-(1-piperidyl)ethyl esterBenzeneacetic acid, α-hydroxy-α-phenyl-, 2-(1-piperidinyl)ethyl ester
2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetatePipethanate [INN]1-Piperidineethanol benzilate2-(1-Piperidino)ethyl benzilateBENZILIC ACID, 2-PIPERIDINOETHYL ESTERPipethanate (INN)Pipetanato [INN-Spanish]Pipethanatum [INN-Latin]
Database identifiers
- CAS
4546-39-8- PubChem CID
- 20674
- DTXSID
DTXSID2023484- ChEMBL
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
Physicochemical properties
- Melting point
- 168 · 168-169 °C
- Boiling point
- 444.1 · 444.1±24.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 11.34 · 11.34±0.29(Predicted)
- FDA UNII
- 32 MG14U83 · P32MG14U83
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Pipethanate is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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