2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone

C13H16F2N2O — CID 62029010

IUPAC2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
SMILESNC1CCN(CC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H16F2N2O/c14-9-1-2-11(12(15)7-9)13(18)8-17-5-3-10(16)4-6-17/h1-2,7,10H,3-6,8,16H2
InChIKeyLZFOPAIEZQWADM-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.57
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone

2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone (PubChem CID 62029010) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
PubChem CID62029010
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
SMILESNC1CCN(CC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H16F2N2O/c14-9-1-2-11(12(15)7-9)13(18)8-17-5-3-10(16)4-6-17/h1-2,7,10H,3-6,8,16H2
InChIKeyLZFOPAIEZQWADM-UHFFFAOYSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62091099
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557
2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 62029233
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43228924
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763175

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone (CID 62029010) is 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone is NC1CCN(CC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is LZFOPAIEZQWADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-9-1-2-11(12(15)7-9)13(18)8-17-5-3-10(16)4-6-17/h1-2,7,10H,3-6,8,16H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 254.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 62029010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).