2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol

C17H23N3O2 — CID 111487555

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCC(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-12-3-5-14(6-4-12)16(21)11-20-9-7-15(8-10-20)17-18-13(2)19-22-17/h3-6,15-16,21H,7-11H2,1-2H3
InChIKeyQOMUJBMEDVMZRI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.60
Rot. Bonds4

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

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol (PubChem CID 111487555) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
PubChem CID111487555
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCC(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C17H23N3O2/c1-12-3-5-14(6-4-12)16(21)11-20-9-7-15(8-10-20)17-18-13(2)19-22-17/h3-6,15-16,21H,7-11H2,1-2H3
InChIKeyQOMUJBMEDVMZRI-UHFFFAOYSA-N
XLogP2.60
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol (CID 111487555) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CN2CCC(c3nc(C)no3)CC2)cc1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol?
The InChIKey is QOMUJBMEDVMZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-3-5-14(6-4-12)16(21)11-20-9-7-15(8-10-20)17-18-13(2)19-22-17/h3-6,15-16,21H,7-11H2,1-2H3.
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 111487555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).