N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

C22H36N4O — CID 109480544

IUPACN-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CC1CCCN(CC)C1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H36N4O/c1-4-23-22(24-15-19-10-8-12-25(5-2)16-19)26-13-14-27-21(17-26)20-11-7-6-9-18(20)3/h6-7,9,11,19,21H,4-5,8,10,12-17H2,1-3H3,(H,23,24)
InChIKeyORSOJJOCFRRUJV-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.07
Rot. Bonds5

About N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109480544) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109480544
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC NameN-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CC1CCCN(CC)C1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H36N4O/c1-4-23-22(24-15-19-10-8-12-25(5-2)16-19)26-13-14-27-21(17-26)20-11-7-6-9-18(20)3/h6-7,9,11,19,21H,4-5,8,10,12-17H2,1-3H3,(H,23,24)
InChIKeyORSOJJOCFRRUJV-UHFFFAOYSA-N
XLogP3.07
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.07
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'}

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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'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480679
N-ethyl-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480370
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723802
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109479828
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637
N-ethyl-N'-(3-hydroxy-2,2-dimethylpropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480503
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481449
N-ethyl-N'-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481057
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide
CID 109481577

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109480544) is N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is CCN/C(=N\CC1CCCN(CC)C1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is ORSOJJOCFRRUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-4-23-22(24-15-19-10-8-12-25(5-2)16-19)26-13-14-27-21(17-26)20-11-7-6-9-18(20)3/h6-7,9,11,19,21H,4-5,8,10,12-17H2,1-3H3,(H,23,24).
What are the key properties of N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 372.56 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109480544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).