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

C14H29IN4O — CID 111086012

IUPACN'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CCN(C(C)C/N=C(\N)N2CCOCC2)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-12-3-5-17(6-4-12)13(2)11-16-14(15)18-7-9-19-10-8-18;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H
InChIKeyQGXAAXWEAHRHCL-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.37
Rot. Bonds3

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

N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111086012) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111086012
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC NameN'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CCN(C(C)C/N=C(\N)N2CCOCC2)CC1.I
InChIInChI=1S/C14H28N4O.HI/c1-12-3-5-17(6-4-12)13(2)11-16-14(15)18-7-9-19-10-8-18;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H
InChIKeyQGXAAXWEAHRHCL-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

4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-(2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
CID 111055185
N'-[2-(4-methylpiperazin-1-yl)propyl]morpholine-4-carboximidamide
CID 111090365
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030
N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
CID 111029048
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086024
N'-[2-(3-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111056636
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919679
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 110919680

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide (CID 111086012) is N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide is CC1CCN(C(C)C/N=C(\N)N2CCOCC2)CC1.I.
What is the InChIKey of N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is QGXAAXWEAHRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/c1-12-3-5-17(6-4-12)13(2)11-16-14(15)18-7-9-19-10-8-18;/h12-13H,3-11H2,1-2H3,(H2,15,16);1H.
What are the key properties of N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(4-methylpiperidin-1-yl)propyl]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 N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111086012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).