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

C15H19N3O2 — CID 80702356

IUPAC4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
SMILESCC1(O)CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C15H19N3O2/c1-15(19)7-9-18(10-8-15)11-13-16-14(17-20-13)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3
InChIKeyUAFLSLZGMOHTPJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.08
Rot. Bonds3

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

4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol (PubChem CID 80702356) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
PubChem CID80702356
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
SMILESCC1(O)CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C15H19N3O2/c1-15(19)7-9-18(10-8-15)11-13-16-14(17-20-13)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3
InChIKeyUAFLSLZGMOHTPJ-UHFFFAOYSA-N
XLogP2.08
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol (CID 80702356) is 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol is CC1(O)CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is UAFLSLZGMOHTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(19)7-9-18(10-8-15)11-13-16-14(17-20-13)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3.
What are the key properties of 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol?
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 273.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 80702356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).