4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

C12H17F2IN4 — CID 109451122

IUPAC4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\N)N1CCN(c2cc(F)ccc2F)CC1.I
InChIInChI=1S/C12H16F2N4.HI/c1-16-12(15)18-6-4-17(5-7-18)11-8-9(13)2-3-10(11)14;/h2-3,8H,4-7H2,1H3,(H2,15,16);1H
InChIKeyZXKINVOITJLUJS-UHFFFAOYSA-N
MW382.20 g/mol
LogP1.65
Rot. Bonds1

About 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 109451122) has the molecular formula C12H17F2IN4 and a molecular weight of 382.20 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
PubChem CID109451122
Molecular FormulaC12H17F2IN4
Molecular Weight382.20 g/mol
Exact Mass382.05
IUPAC Name4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\N)N1CCN(c2cc(F)ccc2F)CC1.I
InChIInChI=1S/C12H16F2N4.HI/c1-16-12(15)18-6-4-17(5-7-18)11-8-9(13)2-3-10(11)14;/h2-3,8H,4-7H2,1H3,(H2,15,16);1H
InChIKeyZXKINVOITJLUJS-UHFFFAOYSA-N
XLogP1.65
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 51.65
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-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111264276
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
4-(2,5-difluorophenyl)-N'-methyl-N-prop-2-ynylpiperazine-1-carboximidamide
CID 109450655
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
tert-butyl 2-[[C-[4-(2,5-difluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetate
CID 109450581
4-(2,5-difluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109451022
1-(2,5-difluorophenyl)piperidine
CID 22638080
4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide
CID 75469826
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887909
4-(2,5-difluorophenyl)-N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109451118
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565643
4-(2,5-difluorophenyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109450974

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (CID 109451122) is 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\N)N1CCN(c2cc(F)ccc2F)CC1.I.
What is the InChIKey of 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is ZXKINVOITJLUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4.HI/c1-16-12(15)18-6-4-17(5-7-18)11-8-9(13)2-3-10(11)14;/h2-3,8H,4-7H2,1H3,(H2,15,16);1H.
What are the key properties of 4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 382.20 g/mol, XLogP of 1.65, 1 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'-methylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109451122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).