(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

C18H19FN2O — CID 14280815

IUPAC(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H19FN2O/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14/h1-6,9-10,16H,7-8,11-13H2
InChIKeyVWPBAFLOHKBMOM-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.32
Rot. Bonds4

About (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone (PubChem CID 14280815) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
PubChem CID14280815
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H19FN2O/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14/h1-6,9-10,16H,7-8,11-13H2
InChIKeyVWPBAFLOHKBMOM-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15443
Metyrapone
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Daporinad
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2-Benzoylpyridine
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10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone
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(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
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Ethanedione, di-3-pyridinyl-
CID 260384
N-(4'-fluorobutyrophenone)-4-(4-chlorophenyl)pyridinium
CID 9975463
(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 6018993

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone (CID 14280815) is (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is VWPBAFLOHKBMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-17-3-1-15(2-4-17)18(22)16-7-11-21(12-8-16)13-14-5-9-20-10-6-14/h1-6,9-10,16H,7-8,11-13H2.
What are the key properties of (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 298.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 14280815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).