[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone

C18H19FN2O2 — CID 110638623

IUPAC[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C18H19FN2O2/c19-16-5-1-2-6-17(16)23-13-14-4-3-11-21(12-14)18(22)15-7-9-20-10-8-15/h1-2,5-10,14H,3-4,11-13H2
InChIKeyBRFXWSCODFPFMR-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.15
Rot. Bonds4

About [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone

[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110638623) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110638623
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C18H19FN2O2/c19-16-5-1-2-6-17(16)23-13-14-4-3-11-21(12-14)18(22)15-7-9-20-10-8-15/h1-2,5-10,14H,3-4,11-13H2
InChIKeyBRFXWSCODFPFMR-UHFFFAOYSA-N
XLogP3.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95885714
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95897446
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 70785166
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide
CID 126430160
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 110638623) is [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC(COc2ccccc2F)C1.
What is the InChIKey of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is BRFXWSCODFPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-5-1-2-6-17(16)23-13-14-4-3-11-21(12-14)18(22)15-7-9-20-10-8-15/h1-2,5-10,14H,3-4,11-13H2.
What are the key properties of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 314.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110638623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).