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

C11H19N3O2 — CID 73439453

IUPAC2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
SMILESCc1noc(C2(C)CCN(CCO)CC2)n1
InChIInChI=1S/C11H19N3O2/c1-9-12-10(16-13-9)11(2)3-5-14(6-4-11)7-8-15/h15H,3-8H2,1-2H3
InChIKeyXPLXWNIPGONOIS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.72
Rot. Bonds3

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

2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol (PubChem CID 73439453) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
PubChem CID73439453
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
SMILESCc1noc(C2(C)CCN(CCO)CC2)n1
InChIInChI=1S/C11H19N3O2/c1-9-12-10(16-13-9)11(2)3-5-14(6-4-11)7-8-15/h15H,3-8H2,1-2H3
InChIKeyXPLXWNIPGONOIS-UHFFFAOYSA-N
XLogP0.72
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 136522002
2-hydroxy-1-[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95841858
2-methyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 171336526
2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144770
1-[2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 118740055
1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-ol
CID 130742055
2-(methylamino)-1-[(2R)-2-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124980516
2-tert-butyl-5-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 171336527
N-[4-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166409146
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110257094
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
CID 156545791
5-(1-bicyclo[2.2.2]octanyl)-3-methyl-1,2,4-oxadiazole
CID 153246826

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol (CID 73439453) is 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol is Cc1noc(C2(C)CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol?
The InChIKey is XPLXWNIPGONOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-12-10(16-13-9)11(2)3-5-14(6-4-11)7-8-15/h15H,3-8H2,1-2H3.
What are the key properties of 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol?
2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 73439453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).