1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol

C15H18FN3O2 — CID 80701819

IUPAC1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C15H18FN3O2/c1-15(20)6-8-19(9-7-15)10-13-17-18-14(21-13)11-2-4-12(16)5-3-11/h2-5,20H,6-10H2,1H3
InChIKeyUGNVXXABHHMPGO-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.22
Rot. Bonds3

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

1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol (PubChem CID 80701819) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
PubChem CID80701819
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C15H18FN3O2/c1-15(20)6-8-19(9-7-15)10-13-17-18-14(21-13)11-2-4-12(16)5-3-11/h2-5,20H,6-10H2,1H3
InChIKeyUGNVXXABHHMPGO-UHFFFAOYSA-N
XLogP2.22
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol (CID 80701819) is 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol is CC1(O)CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol?
The InChIKey is UGNVXXABHHMPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-15(20)6-8-19(9-7-15)10-13-17-18-14(21-13)11-2-4-12(16)5-3-11/h2-5,20H,6-10H2,1H3.
What are the key properties of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol?
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol has a molecular weight of 291.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 80701819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).