3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride

C13H15ClFN3O — CID 142694106

IUPAC3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1ccc(-c2noc(N3CCCCC3)n2)cc1
InChIInChI=1S/C13H14FN3O.ClH/c14-11-6-4-10(5-7-11)12-15-13(18-16-12)17-8-2-1-3-9-17;/h4-7H,1-3,8-9H2;1H
InChIKeyIEKJTMNCTVDRQC-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.29
Rot. Bonds2

About 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride

3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 142694106) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID142694106
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1ccc(-c2noc(N3CCCCC3)n2)cc1
InChIInChI=1S/C13H14FN3O.ClH/c14-11-6-4-10(5-7-11)12-15-13(18-16-12)17-8-2-1-3-9-17;/h4-7H,1-3,8-9H2;1H
InChIKeyIEKJTMNCTVDRQC-UHFFFAOYSA-N
XLogP3.29
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride (CID 142694106) is 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride is Cl.Fc1ccc(-c2noc(N3CCCCC3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IEKJTMNCTVDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.ClH/c14-11-6-4-10(5-7-11)12-15-13(18-16-12)17-8-2-1-3-9-17;/h4-7H,1-3,8-9H2;1H.
What are the key properties of 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride?
3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 283.73 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 142694106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).