1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine

C16H25F2N3 — CID 107520324

IUPAC1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
SMILESCN(C)CC1CCN(CC(N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H25F2N3/c1-20(2)10-12-5-7-21(8-6-12)11-16(19)14-4-3-13(17)9-15(14)18/h3-4,9,12,16H,5-8,10-11,19H2,1-2H3
InChIKeyLGAMKUKGFMBLBS-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.24
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine

1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine (PubChem CID 107520324) has the molecular formula C16H25F2N3 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
PubChem CID107520324
Molecular FormulaC16H25F2N3
Molecular Weight297.39 g/mol
Exact Mass297.20
IUPAC Name1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
SMILESCN(C)CC1CCN(CC(N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H25F2N3/c1-20(2)10-12-5-7-21(8-6-12)11-16(19)14-4-3-13(17)9-15(14)18/h3-4,9,12,16H,5-8,10-11,19H2,1-2H3
InChIKeyLGAMKUKGFMBLBS-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107520322
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,4-difluorophenyl)ethanamine
CID 107520191
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107520835
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 110898680
1-(2,4-difluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 107520774
(3S)-N-[(1R)-1-(2,4-difluorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99628195
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
CID 63815975
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine (CID 107520324) is 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine is CN(C)CC1CCN(CC(N)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine?
The InChIKey is LGAMKUKGFMBLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3/c1-20(2)10-12-5-7-21(8-6-12)11-16(19)14-4-3-13(17)9-15(14)18/h3-4,9,12,16H,5-8,10-11,19H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine?
1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine has a molecular weight of 297.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 107520324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).