[(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate

C21H25NO4 — CID 10665893

IUPAC[(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(O[C@@H]1CCCN(CCO)C1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c23-15-14-22-13-7-12-19(16-22)26-20(24)21(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,23,25H,7,12-16H2/t19-/m1/s1
InChIKeyDZOLMRGHHKCJPY-LJQANCHMSA-N
MW355.43 g/mol
LogP1.92
Rot. Bonds6

About [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate

[(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 10665893) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate
PubChem CID10665893
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(O[C@@H]1CCCN(CCO)C1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c23-15-14-22-13-7-12-19(16-22)26-20(24)21(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,23,25H,7,12-16H2/t19-/m1/s1
InChIKeyDZOLMRGHHKCJPY-LJQANCHMSA-N
XLogP1.92
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-butylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 138396684
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 118984357
ethyl 3-[3-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxypyrrolidin-1-yl]propanoate;hydrobromide
CID 175811913
[(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 97355671
[(3S)-1-ethylpyrrolidin-3-yl] (2S)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 129374493
[(1S,3R)-1-ethyl-1-methylpiperidin-1-ium-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 76971740
2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate
CID 15992
(1-ethylpyrrolidin-3-yl) 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate;hydrochloride
CID 117067160
[3-(oxolan-1-ium-1-yl)cycloheptyl] 2-hydroxy-2,2-diphenylacetate
CID 177225438
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate (CID 10665893) is [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate is O=C(O[C@@H]1CCCN(CCO)C1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is DZOLMRGHHKCJPY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO4/c23-15-14-22-13-7-12-19(16-22)26-20(24)21(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,23,25H,7,12-16H2/t19-/m1/s1.
What are the key properties of [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate?
[(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 355.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-hydroxyethyl)piperidin-3-yl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 10665893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).