4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide

C14H19F2N3 — CID 81293713

IUPAC4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCCCC2CC)c(F)c1
InChIInChI=1S/C14H19F2N3/c1-2-10-5-3-4-6-19(10)13-11(15)7-9(14(17)18)8-12(13)16/h7-8,10H,2-6H2,1H3,(H3,17,18)
InChIKeyCFYIKJAHVURXEC-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.02
Rot. Bonds3

About 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide

4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide (PubChem CID 81293713) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
PubChem CID81293713
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCCCC2CC)c(F)c1
InChIInChI=1S/C14H19F2N3/c1-2-10-5-3-4-6-19(10)13-11(15)7-9(14(17)18)8-12(13)16/h7-8,10H,2-6H2,1H3,(H3,17,18)
InChIKeyCFYIKJAHVURXEC-UHFFFAOYSA-N
XLogP3.02
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3,5-difluoro-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 81293355
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285524
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 82750380
2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine
CID 154695193
1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
CID 107079893
N-[[4-(2-ethylazepan-1-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 104690768
4-chloro-2-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690052
3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43658248
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,5-difluorobenzenecarboximidamide
CID 81285395
2-chloro-4-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690051
3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 81294206
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide
CID 62887717

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide (CID 81293713) is 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N2CCCCC2CC)c(F)c1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The InChIKey is CFYIKJAHVURXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c1-2-10-5-3-4-6-19(10)13-11(15)7-9(14(17)18)8-12(13)16/h7-8,10H,2-6H2,1H3,(H3,17,18).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide?
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide has a molecular weight of 267.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).