1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol

C23H26FN3O2 — CID 45195309

IUPAC1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1
InChIInChI=1S/C23H26FN3O2/c24-20-8-4-7-18(13-20)15-22-25-23(29-26-22)16-27-11-9-19(10-12-27)21(28)14-17-5-2-1-3-6-17/h1-8,13,19,21,28H,9-12,14-16H2
InChIKeyUGNOVQRLFBFHRG-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.62
Rot. Bonds7

About 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol

1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol (PubChem CID 45195309) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol
PubChem CID45195309
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1
InChIInChI=1S/C23H26FN3O2/c24-20-8-4-7-18(13-20)15-22-25-23(29-26-22)16-27-11-9-19(10-12-27)21(28)14-17-5-2-1-3-6-17/h1-8,13,19,21,28H,9-12,14-16H2
InChIKeyUGNOVQRLFBFHRG-UHFFFAOYSA-N
XLogP3.62
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol (CID 45195309) is 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol is OC(Cc1ccccc1)C1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1.
What is the InChIKey of 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol?
The InChIKey is UGNOVQRLFBFHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-20-8-4-7-18(13-20)15-22-25-23(29-26-22)16-27-11-9-19(10-12-27)21(28)14-17-5-2-1-3-6-17/h1-8,13,19,21,28H,9-12,14-16H2.
What are the key properties of 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol?
1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol has a molecular weight of 395.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 45195309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).