N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

C17H21FIN5O — CID 75468371

IUPACN'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(O)c(F)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20FN5O.HI/c18-14-11-13(4-5-15(14)24)12-21-17(19)23-9-7-22(8-10-23)16-3-1-2-6-20-16;/h1-6,11,24H,7-10,12H2,(H2,19,21);1H
InChIKeyNEHLJPHKUAVDPP-UHFFFAOYSA-N
MW457.29 g/mol
LogP2.18
Rot. Bonds3

About N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 75468371) has the molecular formula C17H21FIN5O and a molecular weight of 457.29 g/mol. Its IUPAC name is N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID75468371
Molecular FormulaC17H21FIN5O
Molecular Weight457.29 g/mol
Exact Mass457.08
IUPAC NameN'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccc(O)c(F)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20FN5O.HI/c18-14-11-13(4-5-15(14)24)12-21-17(19)23-9-7-22(8-10-23)16-3-1-2-6-20-16;/h1-6,11,24H,7-10,12H2,(H2,19,21);1H
InChIKeyNEHLJPHKUAVDPP-UHFFFAOYSA-N
XLogP2.18
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111817122
N-ethyl-N'-[(3-fluoro-4-methylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219239
N-ethyl-N'-[(4-fluoro-3-methylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111220476
4-(4-fluorophenyl)-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111041454
N-ethyl-N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220871
1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111845288
N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111061860
4-(4-fluorophenyl)-N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111092220
N-ethyl-N'-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219795
N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111092213
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111068354

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 75468371) is N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccc(O)c(F)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is NEHLJPHKUAVDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O.HI/c18-14-11-13(4-5-15(14)24)12-21-17(19)23-9-7-22(8-10-23)16-3-1-2-6-20-16;/h1-6,11,24H,7-10,12H2,(H2,19,21);1H.
What are the key properties of N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 457.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 75468371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).