N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide

C15H20FIN4 — CID 75482746

IUPACN'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC#CC/N=C(\N)N1CCN(c2ccccc2F)CC1.I
InChIInChI=1S/C15H19FN4.HI/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-7-5-4-6-13(14)16;/h4-7H,8-12H2,1H3,(H2,17,18);1H
InChIKeySEAWKUCGTZCYGF-UHFFFAOYSA-N
MW402.26 g/mol
LogP1.90
Rot. Bonds2

About N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide

N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 75482746) has the molecular formula C15H20FIN4 and a molecular weight of 402.26 g/mol. Its IUPAC name is N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID75482746
Molecular FormulaC15H20FIN4
Molecular Weight402.26 g/mol
Exact Mass402.07
IUPAC NameN'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC#CC/N=C(\N)N1CCN(c2ccccc2F)CC1.I
InChIInChI=1S/C15H19FN4.HI/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-7-5-4-6-13(14)16;/h4-7H,8-12H2,1H3,(H2,17,18);1H
InChIKeySEAWKUCGTZCYGF-UHFFFAOYSA-N
XLogP1.90
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 51.90
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 75482749
N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
CID 116511221
4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide
CID 62361052
4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109451122
ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 3597509
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
N'-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]azetidine-1-carboximidamide
CID 122096032
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142

Frequently Asked Questions

What is the IUPAC name of N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide (CID 75482746) is N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide is CC#CC/N=C(\N)N1CCN(c2ccccc2F)CC1.I.
What is the InChIKey of N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is SEAWKUCGTZCYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4.HI/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-7-5-4-6-13(14)16;/h4-7H,8-12H2,1H3,(H2,17,18);1H.
What are the key properties of N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide?
N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 402.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 75482746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).