4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine

C14H22FN3O — CID 176692424

IUPAC4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2nn(C3COC3)cc2F)CC1
InChIInChI=1S/C14H22FN3O/c1-10(2)17-5-3-11(4-6-17)14-13(15)7-18(16-14)12-8-19-9-12/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeyGXGKOWLMMZMEOS-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.18
Rot. Bonds3

About 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine

4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine (PubChem CID 176692424) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine
PubChem CID176692424
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2nn(C3COC3)cc2F)CC1
InChIInChI=1S/C14H22FN3O/c1-10(2)17-5-3-11(4-6-17)14-13(15)7-18(16-14)12-8-19-9-12/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeyGXGKOWLMMZMEOS-UHFFFAOYSA-N
XLogP2.18
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
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-3-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine (CID 176692424) is 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(c2nn(C3COC3)cc2F)CC1.
What is the InChIKey of 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine?
The InChIKey is GXGKOWLMMZMEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(2)17-5-3-11(4-6-17)14-13(15)7-18(16-14)12-8-19-9-12/h7,10-12H,3-6,8-9H2,1-2H3.
What are the key properties of 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine?
4-[4-fluoro-1-(oxetan-3-yl)pyrazol-3-yl]-1-propan-2-ylpiperidine has a molecular weight of 267.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 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-3-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 176692424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).