(1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate

C21H25NO3 — CID 15636667

IUPAC(1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
SMILESCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
InChIKeyASNYPARLLRDJRH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds5

About (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate

(1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate (PubChem CID 15636667) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
PubChem CID15636667
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
SMILESCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
InChIKeyASNYPARLLRDJRH-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate (CID 15636667) is (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate is CCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate?
The InChIKey is ASNYPARLLRDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3.
What are the key properties of (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate?
(1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate has a molecular weight of 339.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 15636667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).