4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol

C12H14N4O2 — CID 106950041

IUPAC4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
SMILESOC1(c2nc(-c3ccncc3)no2)CCNCC1
InChIInChI=1S/C12H14N4O2/c17-12(3-7-14-8-4-12)11-15-10(16-18-11)9-1-5-13-6-2-9/h1-2,5-6,14,17H,3-4,7-8H2
InChIKeyQRUZEUNYHKAZLC-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.70
Rot. Bonds2

About 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol

4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol (PubChem CID 106950041) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
PubChem CID106950041
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
SMILESOC1(c2nc(-c3ccncc3)no2)CCNCC1
InChIInChI=1S/C12H14N4O2/c17-12(3-7-14-8-4-12)11-15-10(16-18-11)9-1-5-13-6-2-9/h1-2,5-6,14,17H,3-4,7-8H2
InChIKeyQRUZEUNYHKAZLC-UHFFFAOYSA-N
XLogP0.70
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 63123750
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950095
4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid
CID 82625991
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743319
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123728
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 75526673
5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 139003541
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 91650423
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743743

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol?
The IUPAC name of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol (CID 106950041) is 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol.
What is the SMILES notation for 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol?
The canonical SMILES for 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol is OC1(c2nc(-c3ccncc3)no2)CCNCC1.
What is the InChIKey of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol?
The InChIKey is QRUZEUNYHKAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(3-7-14-8-4-12)11-15-10(16-18-11)9-1-5-13-6-2-9/h1-2,5-6,14,17H,3-4,7-8H2.
What are the key properties of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol?
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol has a molecular weight of 246.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol is sourced from PubChem (CID 106950041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).