4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide

C17H25F2IN4 — CID 109451066

IUPAC4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1C)N1CCN(c2cc(F)ccc2F)CC1.I
InChIInChI=1S/C17H24F2N4.HI/c1-3-20-17(21-15-10-12(15)2)23-8-6-22(7-9-23)16-11-13(18)4-5-14(16)19;/h4-5,11-12,15H,3,6-10H2,1-2H3,(H,20,21);1H
InChIKeyBUZPAFNWINQLIZ-UHFFFAOYSA-N
MW450.32 g/mol
LogP3.08
Rot. Bonds3

About 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide

4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 109451066) has the molecular formula C17H25F2IN4 and a molecular weight of 450.32 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID109451066
Molecular FormulaC17H25F2IN4
Molecular Weight450.32 g/mol
Exact Mass450.11
IUPAC Name4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1C)N1CCN(c2cc(F)ccc2F)CC1.I
InChIInChI=1S/C17H24F2N4.HI/c1-3-20-17(21-15-10-12(15)2)23-8-6-22(7-9-23)16-11-13(18)4-5-14(16)19;/h4-5,11-12,15H,3,6-10H2,1-2H3,(H,20,21);1H
InChIKeyBUZPAFNWINQLIZ-UHFFFAOYSA-N
XLogP3.08
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111148397
4-(2,5-difluorophenyl)-N-ethyl-N'-prop-2-ynylpiperazine-1-carboximidamide
CID 109451231
4-(2,5-difluorophenyl)-N'-methyl-N-prop-2-ynylpiperazine-1-carboximidamide
CID 109450655
4-(2,5-difluorophenyl)-N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 109450696
4-(2,5-difluorophenyl)-N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 109451237
4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109451122
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-(2,5-difluorophenyl)-N-ethylpiperazine-1-carboximidamide
CID 109451501
tert-butyl 2-[[C-[4-(2,5-difluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetate
CID 109450581
4-(2,5-difluorophenyl)-N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109451118
4-(2,5-difluorophenyl)-N-ethyl-N'-(2-methylsulfonylethyl)piperazine-1-carboximidamide
CID 109450547
4-(2,5-difluorophenyl)-N'-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109451178
4-(2,5-difluorophenyl)-N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpiperazine-1-carboximidamide
CID 109450715

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide (CID 109451066) is 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide is CC/N=C(/NC1CC1C)N1CCN(c2cc(F)ccc2F)CC1.I.
What is the InChIKey of 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is BUZPAFNWINQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4.HI/c1-3-20-17(21-15-10-12(15)2)23-8-6-22(7-9-23)16-11-13(18)4-5-14(16)19;/h4-5,11-12,15H,3,6-10H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide?
4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 450.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109451066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).