1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone

C15H19F2NO2 — CID 106587713

IUPAC1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCCN(CC(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C15H19F2NO2/c1-20-10-11-4-3-7-18(8-11)9-14(19)15-12(16)5-2-6-13(15)17/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeyBSHLGVXAAUWPAV-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.51
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone

1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone (PubChem CID 106587713) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
PubChem CID106587713
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCCN(CC(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C15H19F2NO2/c1-20-10-11-4-3-7-18(8-11)9-14(19)15-12(16)5-2-6-13(15)17/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeyBSHLGVXAAUWPAV-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
1-(2,6-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 55153158
2-[3-(methoxymethyl)piperidin-1-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 106587762
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587755
4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
CID 124738268
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172
1-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107227995
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987
1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone (CID 106587713) is 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone is COCC1CCCN(CC(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is BSHLGVXAAUWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-20-10-11-4-3-7-18(8-11)9-14(19)15-12(16)5-2-6-13(15)17/h2,5-6,11H,3-4,7-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 283.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 106587713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).