4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide

C14H20F2N4 — CID 81293736

IUPAC4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCCC(N(C)C)C2)c(F)c1
InChIInChI=1S/C14H20F2N4/c1-19(2)10-4-3-5-20(8-10)13-11(15)6-9(14(17)18)7-12(13)16/h6-7,10H,3-5,8H2,1-2H3,(H3,17,18)
InChIKeyXQXWOMNELKPCOP-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.78
Rot. Bonds3

About 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide

4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide (PubChem CID 81293736) has the molecular formula C14H20F2N4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide
PubChem CID81293736
Molecular FormulaC14H20F2N4
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCCC(N(C)C)C2)c(F)c1
InChIInChI=1S/C14H20F2N4/c1-19(2)10-4-3-5-20(8-10)13-11(15)6-9(14(17)18)7-12(13)16/h6-7,10H,3-5,8H2,1-2H3,(H3,17,18)
InChIKeyXQXWOMNELKPCOP-UHFFFAOYSA-N
XLogP1.78
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,5-difluorobenzenecarboximidamide
CID 81285395
3,5-difluoro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzenecarboximidamide
CID 81285670
3,5-difluoro-4-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 81294385
4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285537
3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 81294206
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285524
3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 62547662
3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 81294670
3,5-difluoro-4-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 81293618
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 82750380
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293713
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 107399003

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide (CID 81293736) is 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N2CCCC(N(C)C)C2)c(F)c1.
What is the InChIKey of 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide?
The InChIKey is XQXWOMNELKPCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4/c1-19(2)10-4-3-5-20(8-10)13-11(15)6-9(14(17)18)7-12(13)16/h6-7,10H,3-5,8H2,1-2H3,(H3,17,18).
What are the key properties of 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide?
4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide has a molecular weight of 282.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).