4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine

C11H16FN3O — CID 171506584

IUPAC4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine
SMILESFc1cnn(C2COC2)c1C1CCNCC1
InChIInChI=1S/C11H16FN3O/c12-10-5-14-15(9-6-16-7-9)11(10)8-1-3-13-4-2-8/h5,8-9,13H,1-4,6-7H2
InChIKeyMOEBOATUSSPUKY-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.06
Rot. Bonds2

About 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine

4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine (PubChem CID 171506584) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine
PubChem CID171506584
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine
SMILESFc1cnn(C2COC2)c1C1CCNCC1
InChIInChI=1S/C11H16FN3O/c12-10-5-14-15(9-6-16-7-9)11(10)8-1-3-13-4-2-8/h5,8-9,13H,1-4,6-7H2
InChIKeyMOEBOATUSSPUKY-UHFFFAOYSA-N
XLogP1.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine?
The IUPAC name of 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine (CID 171506584) is 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine is Fc1cnn(C2COC2)c1C1CCNCC1.
What is the InChIKey of 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine?
The InChIKey is MOEBOATUSSPUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-10-5-14-15(9-6-16-7-9)11(10)8-1-3-13-4-2-8/h5,8-9,13H,1-4,6-7H2.
What are the key properties of 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine?
4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine has a molecular weight of 225.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine is sourced from PubChem (CID 171506584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).