N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

C20H27ClIN5O — CID 119130925

IUPACN'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C20H26ClN5O.HI/c1-2-22-20(24-15-18(27)16-6-5-7-17(21)14-16)26-12-10-25(11-13-26)19-8-3-4-9-23-19;/h3-9,14,18,27H,2,10-13,15H2,1H3,(H,22,24);1H
InChIKeyIVUQXUZKMGEHOV-UHFFFAOYSA-N
MW515.83 g/mol
LogP3.17
Rot. Bonds5

About N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119130925) has the molecular formula C20H27ClIN5O and a molecular weight of 515.83 g/mol. Its IUPAC name is N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119130925
Molecular FormulaC20H27ClIN5O
Molecular Weight515.83 g/mol
Exact Mass515.09
IUPAC NameN'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1.I
InChIInChI=1S/C20H26ClN5O.HI/c1-2-22-20(24-15-18(27)16-6-5-7-17(21)14-16)26-12-10-25(11-13-26)19-8-3-4-9-23-19;/h3-9,14,18,27H,2,10-13,15H2,1H3,(H,22,24);1H
InChIKeyIVUQXUZKMGEHOV-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.83
LogP ≤ 53.17
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'-[2-(3,4-difluorophenyl)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111500434
N-ethyl-4-pyridin-2-yl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111983962
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221324
N-ethyl-N'-[(3-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220797
N-ethyl-N'-(2-methoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219949
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219101
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N-ethyl-N'-(2-hydroxy-2-phenylethyl)-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153176
N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dihydropyrrol-1-yl)-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 119152926
N-ethyl-N'-[(4-fluoro-3-methylphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111220476
N-ethyl-N'-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221696
N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221136

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 119130925) is N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(O)c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1.I.
What is the InChIKey of N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is IVUQXUZKMGEHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O.HI/c1-2-22-20(24-15-18(27)16-6-5-7-17(21)14-16)26-12-10-25(11-13-26)19-8-3-4-9-23-19;/h3-9,14,18,27H,2,10-13,15H2,1H3,(H,22,24);1H.
What are the key properties of N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 515.83 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).