2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one

C14H17F2NO2 — CID 112788400

IUPAC2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H17F2NO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyGYGUGZRMYSYYNF-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.74
Rot. Bonds3

About 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one

2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 112788400) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID112788400
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H17F2NO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyGYGUGZRMYSYYNF-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 65202836
2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
CID 107675551
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 107720649
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one
CID 119517559
(2R)-2-(3,4-difluorophenoxy)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]propan-1-one
CID 96545944
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one;hydrochloride
CID 119517558
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide
CID 51096292
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one (CID 112788400) is 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one is CC(Oc1ccc(F)c(F)c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is GYGUGZRMYSYYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-10(14(18)17-7-3-2-4-8-17)19-11-5-6-12(15)13(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one?
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 269.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112788400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).