2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

C19H21FN2O2 — CID 124995942

IUPAC2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC[C@@H](Cc2ccccn2)C1
InChIInChI=1S/C19H21FN2O2/c20-16-6-8-18(9-7-16)24-14-19(23)22-11-3-4-15(13-22)12-17-5-1-2-10-21-17/h1-2,5-10,15H,3-4,11-14H2/t15-/m0/s1
InChIKeyQPLCZPYSTRUMDM-HNNXBMFYSA-N
MW328.39 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 124995942) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID124995942
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC[C@@H](Cc2ccccn2)C1
InChIInChI=1S/C19H21FN2O2/c20-16-6-8-18(9-7-16)24-14-19(23)22-11-3-4-15(13-22)12-17-5-1-2-10-21-17/h1-2,5-10,15H,3-4,11-14H2/t15-/m0/s1
InChIKeyQPLCZPYSTRUMDM-HNNXBMFYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(4-fluorophenoxy)-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641193
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (CID 124995942) is 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is O=C(COc1ccc(F)cc1)N1CCC[C@@H](Cc2ccccn2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is QPLCZPYSTRUMDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-6-8-18(9-7-16)24-14-19(23)22-11-3-4-15(13-22)12-17-5-1-2-10-21-17/h1-2,5-10,15H,3-4,11-14H2/t15-/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124995942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).