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

C14H29IN4O — CID 120661211

IUPAC2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CCN(CC/N=C(\N)N2CCOC(C)C2)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-12-3-6-17(7-4-12)8-5-16-14(15)18-9-10-19-13(2)11-18;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H
InChIKeyLCDVKNSTIPLENG-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.37
Rot. Bonds3

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

2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661211) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661211
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC Name2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CCN(CC/N=C(\N)N2CCOC(C)C2)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-12-3-6-17(7-4-12)8-5-16-14(15)18-9-10-19-13(2)11-18;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H
InChIKeyLCDVKNSTIPLENG-UHFFFAOYSA-N
XLogP1.37
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 51.37
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'-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661640
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
2-methyl-N'-(2-prop-2-ynylsulfanylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661743
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 120663210
2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 120661211) is 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide is CC1CCN(CC/N=C(\N)N2CCOC(C)C2)CC1.I.
What is the InChIKey of 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is LCDVKNSTIPLENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/c1-12-3-6-17(7-4-12)8-5-16-14(15)18-9-10-19-13(2)11-18;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H.
What are the key properties of 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).