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

C11H19N3O2 — CID 79192890

IUPAC4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
SMILESOCCCCc1nc(C2CCNCC2)no1
InChIInChI=1S/C11H19N3O2/c15-8-2-1-3-10-13-11(14-16-10)9-4-6-12-7-5-9/h9,12,15H,1-8H2
InChIKeyRJQPJYPGGRUPRD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.85
Rot. Bonds5

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

4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol (PubChem CID 79192890) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
PubChem CID79192890
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
SMILESOCCCCc1nc(C2CCNCC2)no1
InChIInChI=1S/C11H19N3O2/c15-8-2-1-3-10-13-11(14-16-10)9-4-6-12-7-5-9/h9,12,15H,1-8H2
InChIKeyRJQPJYPGGRUPRD-UHFFFAOYSA-N
XLogP0.85
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192299
3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82399506
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192880
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115079579
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The IUPAC name of 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol (CID 79192890) is 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol.
What is the SMILES notation for 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The canonical SMILES for 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol is OCCCCc1nc(C2CCNCC2)no1.
What is the InChIKey of 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The InChIKey is RJQPJYPGGRUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-8-2-1-3-10-13-11(14-16-10)9-4-6-12-7-5-9/h9,12,15H,1-8H2.
What are the key properties of 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol?
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol is sourced from PubChem (CID 79192890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).