4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide

C17H26FIN4O — CID 119120036

IUPAC4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CCCCO1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN4O.HI/c18-14-4-6-15(7-5-14)21-8-10-22(11-9-21)17(19)20-13-16-3-1-2-12-23-16;/h4-7,16H,1-3,8-13H2,(H2,19,20);1H
InChIKeyOQNUUKSTGSYNAG-UHFFFAOYSA-N
MW448.32 g/mol
LogP2.45
Rot. Bonds3

About 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119120036) has the molecular formula C17H26FIN4O and a molecular weight of 448.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119120036
Molecular FormulaC17H26FIN4O
Molecular Weight448.32 g/mol
Exact Mass448.11
IUPAC Name4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CCCCO1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN4O.HI/c18-14-4-6-15(7-5-14)21-8-10-22(11-9-21)17(19)20-13-16-3-1-2-12-23-16;/h4-7,16H,1-3,8-13H2,(H2,19,20);1H
InChIKeyOQNUUKSTGSYNAG-UHFFFAOYSA-N
XLogP2.45
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide
CID 119120037
N'-(1,4-dioxan-2-ylmethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119119468
4-(4-fluorophenyl)-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111811167
4-(4-fluorophenyl)-N'-[2-(oxan-2-ylmethylsulfamoyl)ethyl]piperazine-1-carboximidamide
CID 111811168
N-ethyl-4-(4-fluorophenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111165912
4-(4-fluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]piperazine-1-carboximidamide
CID 111802822
4-(4-fluorophenyl)-N'-(oxan-3-ylmethyl)piperazine-1-carboximidamide
CID 119119749
4-(4-chlorophenyl)-N'-[2-(oxan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110018760
4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110033350
N'-[(1,1-dioxothiolan-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111045921
4-(4-fluorophenyl)-N'-[(1-methylsulfonylpiperidin-2-yl)methyl]piperazine-1-carboximidamide
CID 120973595
N'-[[(2R)-oxolan-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122097338

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide (CID 119120036) is 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CC1CCCCO1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is OQNUUKSTGSYNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O.HI/c18-14-4-6-15(7-5-14)21-8-10-22(11-9-21)17(19)20-13-16-3-1-2-12-23-16;/h4-7,16H,1-3,8-13H2,(H2,19,20);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 448.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-(oxan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119120036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).