N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide

C16H23FN4 — CID 119153263

IUPACN-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(/NC1CCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN4/c1-18-16(19-13-5-4-6-13)21-11-9-20(10-12-21)15-8-3-2-7-14(15)17/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,18,19)
InChIKeyMCLSPGJOXYABES-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.08
Rot. Bonds2

About N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide

N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 119153263) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID119153263
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(/NC1CCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H23FN4/c1-18-16(19-13-5-4-6-13)21-11-9-20(10-12-21)15-8-3-2-7-14(15)17/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,18,19)
InChIKeyMCLSPGJOXYABES-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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'}

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Related Compounds

4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111148397
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148855
N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133811
N-cyclobutyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119153328
4-(2-chlorophenyl)-N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazine-1-carboximidamide
CID 111177406
4-(2-fluorophenyl)-N'-methyl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119130141
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148745
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
tert-butyl N-[2-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]carbamate
CID 111149232
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259
N-cyclopropyl-4-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]butanamide;hydroiodide
CID 111148810
4-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide (CID 119153263) is N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(/NC1CCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is MCLSPGJOXYABES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-18-16(19-13-5-4-6-13)21-11-9-20(10-12-21)15-8-3-2-7-14(15)17/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,18,19).
What are the key properties of N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 290.39 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 119153263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).