2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone

C21H24F2N2O2 — CID 119544183

IUPAC2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
SMILESCNCC1CCN(C(=O)C(Oc2ccc(F)c(F)c2)c2ccccc2)CC1
InChIInChI=1S/C21H24F2N2O2/c1-24-14-15-9-11-25(12-10-15)21(26)20(16-5-3-2-4-6-16)27-17-7-8-18(22)19(23)13-17/h2-8,13,15,20,24H,9-12,14H2,1H3
InChIKeyQFDTXUGJTOHELA-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.54
Rot. Bonds6

About 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone

2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 119544183) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID119544183
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
SMILESCNCC1CCN(C(=O)C(Oc2ccc(F)c(F)c2)c2ccccc2)CC1
InChIInChI=1S/C21H24F2N2O2/c1-24-14-15-9-11-25(12-10-15)21(26)20(16-5-3-2-4-6-16)27-17-7-8-18(22)19(23)13-17/h2-8,13,15,20,24H,9-12,14H2,1H3
InChIKeyQFDTXUGJTOHELA-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396272
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)-2-phenylethanone
CID 120817416
N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide
CID 51096292
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
CID 119560633
2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511547
3-(2-fluorophenyl)-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546479
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119644444
tert-butyl N-[(1S)-2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 86760587
2-(3,4-difluorophenyl)sulfanyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119398411
2-(2-ethylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119397850
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 109380455

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone (CID 119544183) is 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone is CNCC1CCN(C(=O)C(Oc2ccc(F)c(F)c2)c2ccccc2)CC1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is QFDTXUGJTOHELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-24-14-15-9-11-25(12-10-15)21(26)20(16-5-3-2-4-6-16)27-17-7-8-18(22)19(23)13-17/h2-8,13,15,20,24H,9-12,14H2,1H3.
What are the key properties of 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone?
2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 374.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119544183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).