4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide

C16H23FN4 — CID 111148397

IUPAC4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
SMILESC/N=C(/NC1CC1C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN4/c1-12-11-14(12)19-16(18-2)21-9-7-20(8-10-21)15-6-4-3-5-13(15)17/h3-6,12,14H,7-11H2,1-2H3,(H,18,19)
InChIKeyOBSVIQONCZILKX-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.93
Rot. Bonds2

About 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide

4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide (PubChem CID 111148397) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
PubChem CID111148397
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
SMILESC/N=C(/NC1CC1C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN4/c1-12-11-14(12)19-16(18-2)21-9-7-20(8-10-21)15-6-4-3-5-13(15)17/h3-6,12,14H,7-11H2,1-2H3,(H,18,19)
InChIKeyOBSVIQONCZILKX-UHFFFAOYSA-N
XLogP1.93
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.93
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'}

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Related Compounds

4-(2-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 111132834
N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119153263
N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133811
4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111242887
4-(2,5-difluorophenyl)-N'-ethyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 109451066
tert-butyl N-[2-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]carbamate
CID 111149232
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148855
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259
N-[3-[ethylsulfonyl(methyl)amino]propyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148849
4-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524
4-(2-fluorophenyl)-N'-methyl-N-(2-prop-2-enylsulfanylethyl)piperazine-1-carboximidamide
CID 111148893
N-[2-(2-fluorophenyl)cyclopropyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290119

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide (CID 111148397) is 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide is C/N=C(/NC1CC1C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The InChIKey is OBSVIQONCZILKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-12-11-14(12)19-16(18-2)21-9-7-20(8-10-21)15-6-4-3-5-13(15)17/h3-6,12,14H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide has a molecular weight of 290.39 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111148397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).