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

C15H19N3O2 — CID 115874108

IUPAC3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
SMILESCC1(O)CCCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H19N3O2/c1-15(19)8-5-9-18(11-15)10-13-16-14(20-17-13)12-6-3-2-4-7-12/h2-4,6-7,19H,5,8-11H2,1H3
InChIKeyQWXOAXXOFVATBY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.08
Rot. Bonds3

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

3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol (PubChem CID 115874108) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
PubChem CID115874108
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
SMILESCC1(O)CCCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H19N3O2/c1-15(19)8-5-9-18(11-15)10-13-16-14(20-17-13)12-6-3-2-4-7-12/h2-4,6-7,19H,5,8-11H2,1H3
InChIKeyQWXOAXXOFVATBY-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 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol (CID 115874108) is 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol is CC1(O)CCCN(Cc2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is QWXOAXXOFVATBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(19)8-5-9-18(11-15)10-13-16-14(20-17-13)12-6-3-2-4-7-12/h2-4,6-7,19H,5,8-11H2,1H3.
What are the key properties of 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-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 3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 115874108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).