4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol

C14H17N3O2 — CID 135567363

IUPAC4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCC(c2noc(-c3ccc(O)cc3)n2)CC1
InChIInChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3
InChIKeyBGJREFNVLIBEOU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.25
Rot. Bonds2

About 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135567363) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135567363
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCC(c2noc(-c3ccc(O)cc3)n2)CC1
InChIInChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3
InChIKeyBGJREFNVLIBEOU-UHFFFAOYSA-N
XLogP2.25
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 135567363) is 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol is CN1CCC(c2noc(-c3ccc(O)cc3)n2)CC1.
What is the InChIKey of 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BGJREFNVLIBEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3.
What are the key properties of 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135567363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).