N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide

C22H37IN4O — CID 109479828

IUPACN-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC1CCN(C)CC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C22H36N4O.HI/c1-4-23-22(24-12-9-19-10-13-25(3)14-11-19)26-15-16-27-21(17-26)20-8-6-5-7-18(20)2;/h5-8,19,21H,4,9-17H2,1-3H3,(H,23,24);1H
InChIKeyNEOGUZIEGZJEJU-UHFFFAOYSA-N
MW500.47 g/mol
LogP3.68
Rot. Bonds5

About N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide

N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 109479828) has the molecular formula C22H37IN4O and a molecular weight of 500.47 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID109479828
Molecular FormulaC22H37IN4O
Molecular Weight500.47 g/mol
Exact Mass500.20
IUPAC NameN-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC1CCN(C)CC1)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C22H36N4O.HI/c1-4-23-22(24-12-9-19-10-13-25(3)14-11-19)26-15-16-27-21(17-26)20-8-6-5-7-18(20)2;/h5-8,19,21H,4,9-17H2,1-3H3,(H,23,24);1H
InChIKeyNEOGUZIEGZJEJU-UHFFFAOYSA-N
XLogP3.68
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.47
LogP ≤ 53.68
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

N-ethyl-2-(2-methylphenyl)-N'-[(1-methylpiperidin-4-yl)methyl]morpholine-4-carboximidamide
CID 109481121
N-ethyl-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480370
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-ethyl-N'-(3-hydroxy-2,2-dimethylpropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480503
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479698
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481449
N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479835
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479699
N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481754
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479510
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 109479828) is N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CCC1CCN(C)CC1)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is NEOGUZIEGZJEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O.HI/c1-4-23-22(24-12-9-19-10-13-25(3)14-11-19)26-15-16-27-21(17-26)20-8-6-5-7-18(20)2;/h5-8,19,21H,4,9-17H2,1-3H3,(H,23,24);1H.
What are the key properties of N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 500.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109479828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).