5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole

C16H22FN3O — CID 139510542

IUPAC5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole
SMILESCN1C=C(CC(c2ccc(F)cc2)C2CCNCC2)ON1
InChIInChI=1S/C16H22FN3O/c1-20-11-15(21-19-20)10-16(13-6-8-18-9-7-13)12-2-4-14(17)5-3-12/h2-5,11,13,16,18-19H,6-10H2,1H3
InChIKeyKDIKHOQIQNOAAY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.52
Rot. Bonds4

About 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole

5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole (PubChem CID 139510542) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole
PubChem CID139510542
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole
SMILESCN1C=C(CC(c2ccc(F)cc2)C2CCNCC2)ON1
InChIInChI=1S/C16H22FN3O/c1-20-11-15(21-19-20)10-16(13-6-8-18-9-7-13)12-2-4-14(17)5-3-12/h2-5,11,13,16,18-19H,6-10H2,1H3
InChIKeyKDIKHOQIQNOAAY-UHFFFAOYSA-N
XLogP2.52
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
CID 175461872
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
CID 18071355
4-[(4-fluorophenyl)-methoxymethyl]piperidine
CID 10585185
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
3-[1-(4-fluorophenyl)propyl]piperidine
CID 83910611
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole?
The IUPAC name of 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole (CID 139510542) is 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole?
The canonical SMILES for 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole is CN1C=C(CC(c2ccc(F)cc2)C2CCNCC2)ON1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole?
The InChIKey is KDIKHOQIQNOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-20-11-15(21-19-20)10-16(13-6-8-18-9-7-13)12-2-4-14(17)5-3-12/h2-5,11,13,16,18-19H,6-10H2,1H3.
What are the key properties of 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole?
5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole has a molecular weight of 291.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-2-piperidin-4-ylethyl]-3-methyl-2H-oxadiazole is sourced from PubChem (CID 139510542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).