[1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate

C21H24FNO3 — CID 10043883

IUPAC[1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCN(CCF)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24FNO3/c22-13-16-23-14-11-19(12-15-23)26-20(24)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,25H,11-16H2
InChIKeyKWDWGQNIBAXCHO-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.90
Rot. Bonds6

About [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate

[1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 10043883) has the molecular formula C21H24FNO3 and a molecular weight of 357.42 g/mol. Its IUPAC name is [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
PubChem CID10043883
Molecular FormulaC21H24FNO3
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name[1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCN(CCF)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24FNO3/c22-13-16-23-14-11-19(12-15-23)26-20(24)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,25H,11-16H2
InChIKeyKWDWGQNIBAXCHO-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 91505
CID 91505
CID 9330
CID 9330
CID 23056
CID 23056
CID 3494
CID 3494
CID 4634
CID 4634
CID 4057
CID 4057
CID 4942
CID 4942
CID 5748
CID 5748
CID 19004
CID 19004
CID 5284632
CID 5284632
CID 5749
CID 5749
CID 2784
CID 2784

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate (CID 10043883) is [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate is O=C(OC1CCN(CCF)CC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is KWDWGQNIBAXCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c22-13-16-23-14-11-19(12-15-23)26-20(24)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,25H,11-16H2.
What are the key properties of [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
[1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 357.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 10043883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).