2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone

C15H20F2N2O2 — CID 118794776

IUPAC2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESNCCOc1ccc(CC(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C15H20F2N2O2/c16-15(17)5-8-19(9-6-15)14(20)11-12-1-3-13(4-2-12)21-10-7-18/h1-4H,5-11,18H2
InChIKeyLIVGZBAVHLWEGN-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone

2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone (PubChem CID 118794776) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone
PubChem CID118794776
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESNCCOc1ccc(CC(=O)N2CCC(F)(F)CC2)cc1
InChIInChI=1S/C15H20F2N2O2/c16-15(17)5-8-19(9-6-15)14(20)11-12-1-3-13(4-2-12)21-10-7-18/h1-4H,5-11,18H2
InChIKeyLIVGZBAVHLWEGN-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
2-[4-(2-aminoethoxy)phenyl]-1-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]ethanone
CID 126426546
1-(4,4-difluoropiperidin-1-yl)-2-(3-ethenyl-4-fluorophenyl)ethanone
CID 176516102
2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 55214674
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 62936167
2-(4-bromophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534855
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
2-[4-(2-aminoethoxy)phenyl]-1-[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 126436592
2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone (CID 118794776) is 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone is NCCOc1ccc(CC(=O)N2CCC(F)(F)CC2)cc1.
What is the InChIKey of 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
The InChIKey is LIVGZBAVHLWEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-15(17)5-8-19(9-6-15)14(20)11-12-1-3-13(4-2-12)21-10-7-18/h1-4H,5-11,18H2.
What are the key properties of 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone?
2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone has a molecular weight of 298.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)phenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 118794776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).