1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol

C16H20FN3O2 — CID 110892569

IUPAC1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
SMILESCc1cc(-c2noc(C(C)N3CCCC(O)C3)n2)ccc1F
InChIInChI=1S/C16H20FN3O2/c1-10-8-12(5-6-14(10)17)15-18-16(22-19-15)11(2)20-7-3-4-13(21)9-20/h5-6,8,11,13,21H,3-4,7,9H2,1-2H3
InChIKeyXCKPRXSDSGFFRD-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.70
Rot. Bonds3

About 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol

1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol (PubChem CID 110892569) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
PubChem CID110892569
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
SMILESCc1cc(-c2noc(C(C)N3CCCC(O)C3)n2)ccc1F
InChIInChI=1S/C16H20FN3O2/c1-10-8-12(5-6-14(10)17)15-18-16(22-19-15)11(2)20-7-3-4-13(21)9-20/h5-6,8,11,13,21H,3-4,7,9H2,1-2H3
InChIKeyXCKPRXSDSGFFRD-UHFFFAOYSA-N
XLogP2.70
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
CID 98762941
4-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]phenol
CID 78898660
1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774953
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenol
CID 86993111
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 78881162
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78881389
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
tert-butyl N-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]carbamate
CID 78899802
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 78881160
10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane
CID 139008329
1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 78881465
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol?
The IUPAC name of 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol (CID 110892569) is 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol?
The canonical SMILES for 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol is Cc1cc(-c2noc(C(C)N3CCCC(O)C3)n2)ccc1F.
What is the InChIKey of 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol?
The InChIKey is XCKPRXSDSGFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10-8-12(5-6-14(10)17)15-18-16(22-19-15)11(2)20-7-3-4-13(21)9-20/h5-6,8,11,13,21H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol?
1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol has a molecular weight of 305.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol is sourced from PubChem (CID 110892569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).