1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone

C25H25FN2O2 — CID 110130776

IUPAC1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCCCC1c1ccc(Cc2cccc(F)c2)nc1
InChIInChI=1S/C25H25FN2O2/c26-21-5-3-4-19(14-21)15-22-10-9-20(17-27-22)24-6-1-2-13-28(24)25(30)16-18-7-11-23(29)12-8-18/h3-5,7-12,14,17,24,29H,1-2,6,13,15-16H2
InChIKeyOMOVRUJQNVGIHD-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.81
Rot. Bonds5

About 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone

1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone (PubChem CID 110130776) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
PubChem CID110130776
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCCCC1c1ccc(Cc2cccc(F)c2)nc1
InChIInChI=1S/C25H25FN2O2/c26-21-5-3-4-19(14-21)15-22-10-9-20(17-27-22)24-6-1-2-13-28(24)25(30)16-18-7-11-23(29)12-8-18/h3-5,7-12,14,17,24,29H,1-2,6,13,15-16H2
InChIKeyOMOVRUJQNVGIHD-UHFFFAOYSA-N
XLogP4.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95818210
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
1-[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 124961135
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 50746973
N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124973479
[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110130702
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78807045
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95735012
1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63393969
cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone
CID 127251981

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone (CID 110130776) is 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone is O=C(Cc1ccc(O)cc1)N1CCCCC1c1ccc(Cc2cccc(F)c2)nc1.
What is the InChIKey of 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
The InChIKey is OMOVRUJQNVGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-21-5-3-4-19(14-21)15-22-10-9-20(17-27-22)24-6-1-2-13-28(24)25(30)16-18-7-11-23(29)12-8-18/h3-5,7-12,14,17,24,29H,1-2,6,13,15-16H2.
What are the key properties of 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone?
1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone has a molecular weight of 404.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(3-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 110130776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).