1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine

C19H24FN3O2 — CID 176618459

IUPAC1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine
SMILESFc1cc(-c2cn[nH]c2)ccc1N1CCC(OCCC2COC2)CC1
InChIInChI=1S/C19H24FN3O2/c20-18-9-15(16-10-21-22-11-16)1-2-19(18)23-6-3-17(4-7-23)25-8-5-14-12-24-13-14/h1-2,9-11,14,17H,3-8,12-13H2,(H,21,22)
InChIKeySUJLDTBCWDBRSU-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.24
Rot. Bonds6

About 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine

1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine (PubChem CID 176618459) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine.

Molecular Properties

Compound Name1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine
PubChem CID176618459
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine
SMILESFc1cc(-c2cn[nH]c2)ccc1N1CCC(OCCC2COC2)CC1
InChIInChI=1S/C19H24FN3O2/c20-18-9-15(16-10-21-22-11-16)1-2-19(18)23-6-3-17(4-7-23)25-8-5-14-12-24-13-14/h1-2,9-11,14,17H,3-8,12-13H2,(H,21,22)
InChIKeySUJLDTBCWDBRSU-UHFFFAOYSA-N
XLogP3.24
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine
CID 176618516
1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperazine;pyrrolidine-1-carbaldehyde
CID 170170465
1-[[1-[2-(hydroxymethyl)-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 169094886
2-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]-5-(1H-pyrazol-4-yl)benzoic acid
CID 169094887
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
CID 82691104
3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
CID 82685589
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine
CID 65202409
1-[4-(2,2-difluoroethoxy)-2-fluorophenyl]piperidin-4-amine
CID 65202029
4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
CID 166240164
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
CID 61220908
N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]phenyl]cyclopropanesulfinamide
CID 143758103
1-(4-ethoxy-2-fluorophenyl)piperidin-4-amine
CID 65202408

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine?
The IUPAC name of 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine (CID 176618459) is 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine.
What is the SMILES notation for 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine?
The canonical SMILES for 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine is Fc1cc(-c2cn[nH]c2)ccc1N1CCC(OCCC2COC2)CC1.
What is the InChIKey of 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine?
The InChIKey is SUJLDTBCWDBRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-18-9-15(16-10-21-22-11-16)1-2-19(18)23-6-3-17(4-7-23)25-8-5-14-12-24-13-14/h1-2,9-11,14,17H,3-8,12-13H2,(H,21,22).
What are the key properties of 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine?
1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine has a molecular weight of 345.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-4-[2-(oxetan-3-yl)ethoxy]piperidine is sourced from PubChem (CID 176618459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).