4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide

C19H26IN5O — CID 111184883

IUPAC4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cccc(C)n1)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C19H25N5O.HI/c1-15-6-5-7-16(22-15)14-21-19(20-2)24-12-10-23(11-13-24)17-8-3-4-9-18(17)25;/h3-9,25H,10-14H2,1-2H3,(H,20,21);1H
InChIKeyQLHJWXPRDXSFAY-UHFFFAOYSA-N
MW467.36 g/mol
LogP2.61
Rot. Bonds3

About 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide

4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111184883) has the molecular formula C19H26IN5O and a molecular weight of 467.36 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111184883
Molecular FormulaC19H26IN5O
Molecular Weight467.36 g/mol
Exact Mass467.12
IUPAC Name4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cccc(C)n1)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C19H25N5O.HI/c1-15-6-5-7-16(22-15)14-21-19(20-2)24-12-10-23(11-13-24)17-8-3-4-9-18(17)25;/h3-9,25H,10-14H2,1-2H3,(H,20,21);1H
InChIKeyQLHJWXPRDXSFAY-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 52.61
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

4-(2-hydroxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185443
4-(2-hydroxyphenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185555
4-(2-hydroxyphenyl)-N'-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111184794
ethyl 4-[N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163268
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185647
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184436
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983974
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109401140
N-[(4-bromophenyl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111977341
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427485
N-ethyl-4-(2-fluorophenyl)-N'-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111149241
4-(2-hydroxyphenyl)-N'-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111184400

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 111184883) is 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCc1cccc(C)n1)N1CCN(c2ccccc2O)CC1.I.
What is the InChIKey of 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is QLHJWXPRDXSFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.HI/c1-15-6-5-7-16(22-15)14-21-19(20-2)24-12-10-23(11-13-24)17-8-3-4-9-18(17)25;/h3-9,25H,10-14H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 467.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111184883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).