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

C26H26FNO3 — CID 15636671

IUPAC[1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCN(Cc2ccc(F)cc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2
InChIKeyVFMONUOYFULIIW-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.27
Rot. Bonds6

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

[1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 15636671) has the molecular formula C26H26FNO3 and a molecular weight of 419.50 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
PubChem CID15636671
Molecular FormulaC26H26FNO3
Molecular Weight419.50 g/mol
Exact Mass419.19
IUPAC Name[1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCN(Cc2ccc(F)cc2)CC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2
InChIKeyVFMONUOYFULIIW-UHFFFAOYSA-N
XLogP4.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate (CID 15636671) is [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate is O=C(OC1CCN(Cc2ccc(F)cc2)CC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is VFMONUOYFULIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate?
[1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 419.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]piperidin-4-yl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 15636671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).