[2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine

C20H21FN4O — CID 167887457

IUPAC[2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine
SMILESNCc1ccccc1C1CCN(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C20H21FN4O/c21-17-7-5-15(6-8-17)19-23-20(26-24-19)25-11-9-14(10-12-25)18-4-2-1-3-16(18)13-22/h1-8,14H,9-13,22H2
InChIKeySKMUSOQNPKUBRK-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.72
Rot. Bonds4

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

[2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine (PubChem CID 167887457) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine
PubChem CID167887457
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name[2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine
SMILESNCc1ccccc1C1CCN(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C20H21FN4O/c21-17-7-5-15(6-8-17)19-23-20(26-24-19)25-11-9-14(10-12-25)18-4-2-1-3-16(18)13-22/h1-8,14H,9-13,22H2
InChIKeySKMUSOQNPKUBRK-UHFFFAOYSA-N
XLogP3.72
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine?
The IUPAC name of [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine (CID 167887457) is [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine.
What is the SMILES notation for [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine?
The canonical SMILES for [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine is NCc1ccccc1C1CCN(c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine?
The InChIKey is SKMUSOQNPKUBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-17-7-5-15(6-8-17)19-23-20(26-24-19)25-11-9-14(10-12-25)18-4-2-1-3-16(18)13-22/h1-8,14H,9-13,22H2.
What are the key properties of [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine?
[2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine has a molecular weight of 352.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine is sourced from PubChem (CID 167887457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).