1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol

C17H22FN3O2 — CID 111112622

IUPAC1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C17H22FN3O2/c1-17(2,22)11-21-9-3-4-13(10-21)16-19-15(20-23-16)12-5-7-14(18)8-6-12/h5-8,13,22H,3-4,9-11H2,1-2H3
InChIKeyZTVAZBDCUGCHKL-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.83
Rot. Bonds4

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

1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 111112622) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID111112622
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C17H22FN3O2/c1-17(2,22)11-21-9-3-4-13(10-21)16-19-15(20-23-16)12-5-7-14(18)8-6-12/h5-8,13,22H,3-4,9-11H2,1-2H3
InChIKeyZTVAZBDCUGCHKL-UHFFFAOYSA-N
XLogP2.83
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-5-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 119931231
2-ethyl-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 1453889
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981414
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 15947762
2-cyclohexyl-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 6487204
2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 119313764
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183658
[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95277119
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 68924485

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol (CID 111112622) is 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is ZTVAZBDCUGCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(2,22)11-21-9-3-4-13(10-21)16-19-15(20-23-16)12-5-7-14(18)8-6-12/h5-8,13,22H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 319.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 111112622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).