1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone

C19H21FN2O2 — CID 91492571

IUPAC1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Oc2cccc(F)c2Cc2cccnc2)C1
InChIInChI=1S/C19H21FN2O2/c1-14(23)22-10-4-6-16(13-22)24-19-8-2-7-18(20)17(19)11-15-5-3-9-21-12-15/h2-3,5,7-9,12,16H,4,6,10-11,13H2,1H3
InChIKeyFJVFIWUXOPCEHO-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.20
Rot. Bonds4

About 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone

1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone (PubChem CID 91492571) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone
PubChem CID91492571
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Oc2cccc(F)c2Cc2cccnc2)C1
InChIInChI=1S/C19H21FN2O2/c1-14(23)22-10-4-6-16(13-22)24-19-8-2-7-18(20)17(19)11-15-5-3-9-21-12-15/h2-3,5,7-9,12,16H,4,6,10-11,13H2,1H3
InChIKeyFJVFIWUXOPCEHO-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70755834
1-(4-fluorophenyl)-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]butane-1,4-dione
CID 70722359
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97147487
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 110093304

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone (CID 91492571) is 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Oc2cccc(F)c2Cc2cccnc2)C1.
What is the InChIKey of 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone?
The InChIKey is FJVFIWUXOPCEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(23)22-10-4-6-16(13-22)24-19-8-2-7-18(20)17(19)11-15-5-3-9-21-12-15/h2-3,5,7-9,12,16H,4,6,10-11,13H2,1H3.
What are the key properties of 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone?
1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-fluoro-2-(pyridin-3-ylmethyl)phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 91492571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).