4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide

C19H24FIN4O — CID 111026410

IUPAC4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCOc1cccc(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1.I
InChIInChI=1S/C19H23FN4O.HI/c1-25-18-4-2-3-15(13-18)14-22-19(21)24-11-9-23(10-12-24)17-7-5-16(20)6-8-17;/h2-8,13H,9-12,14H2,1H3,(H2,21,22);1H
InChIKeyJYWRZTGMSJFKJT-UHFFFAOYSA-N
MW470.33 g/mol
LogP3.09
Rot. Bonds4

About 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111026410) has the molecular formula C19H24FIN4O and a molecular weight of 470.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111026410
Molecular FormulaC19H24FIN4O
Molecular Weight470.33 g/mol
Exact Mass470.10
IUPAC Name4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCOc1cccc(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1.I
InChIInChI=1S/C19H23FN4O.HI/c1-25-18-4-2-3-15(13-18)14-22-19(21)24-11-9-23(10-12-24)17-7-5-16(20)6-8-17;/h2-8,13H,9-12,14H2,1H3,(H2,21,22);1H
InChIKeyJYWRZTGMSJFKJT-UHFFFAOYSA-N
XLogP3.09
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.09
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'-[3-(3-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111099363
N'-[[3-(difluoromethoxy)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111093341
4-(4-fluorophenyl)-N'-[(3-hydroxy-4-methoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111052092
4-(4-fluorophenyl)-N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]piperazine-1-carboximidamide
CID 120728079
N'-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111049618
N'-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 122097417
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
4-(4-fluorophenyl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111061352
4-(4-fluorophenyl)-N'-[(4-methoxy-3-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119120062
4-(4-fluorophenyl)-N'-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111038776
4-(4-fluorophenyl)-N'-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111096763
N-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076685

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 111026410) is 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide is COc1cccc(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)c1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is JYWRZTGMSJFKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O.HI/c1-25-18-4-2-3-15(13-18)14-22-19(21)24-11-9-23(10-12-24)17-7-5-16(20)6-8-17;/h2-8,13H,9-12,14H2,1H3,(H2,21,22);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 470.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111026410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).