2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one

C15H20F2N2O — CID 62082608

IUPAC2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one
SMILESNCC(Cc1ccc(F)cc1F)C(=O)N1CCCCC1
InChIInChI=1S/C15H20F2N2O/c16-13-5-4-11(14(17)9-13)8-12(10-18)15(20)19-6-2-1-3-7-19/h4-5,9,12H,1-3,6-8,10,18H2
InChIKeyHUJGGPFUFKTHBG-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.09
Rot. Bonds4

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

2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 62082608) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID62082608
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one
SMILESNCC(Cc1ccc(F)cc1F)C(=O)N1CCCCC1
InChIInChI=1S/C15H20F2N2O/c16-13-5-4-11(14(17)9-13)8-12(10-18)15(20)19-6-2-1-3-7-19/h4-5,9,12H,1-3,6-8,10,18H2
InChIKeyHUJGGPFUFKTHBG-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(3,5-difluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 106531741
2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 62082064
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
2-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 62081543
2-(aminomethyl)-1-(azepan-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 79584553
2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
CID 23022300
2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one
CID 115990294
(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
CID 94371784
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51130305

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one (CID 62082608) is 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one is NCC(Cc1ccc(F)cc1F)C(=O)N1CCCCC1.
What is the InChIKey of 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is HUJGGPFUFKTHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-13-5-4-11(14(17)9-13)8-12(10-18)15(20)19-6-2-1-3-7-19/h4-5,9,12H,1-3,6-8,10,18H2.
What are the key properties of 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one?
2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 282.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,4-difluorophenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 62082608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).