N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

C13H20IN3O2 — CID 111077296

IUPACN'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccccc1CO)N1CCOCC1
InChIInChI=1S/C13H19N3O2.HI/c14-13(16-5-7-18-8-6-16)15-9-11-3-1-2-4-12(11)10-17;/h1-4,17H,5-10H2,(H2,14,15);1H
InChIKeyLQMVZSQQUXWISO-UHFFFAOYSA-N
MW377.23 g/mol
LogP0.94
Rot. Bonds3

About N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111077296) has the molecular formula C13H20IN3O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111077296
Molecular FormulaC13H20IN3O2
Molecular Weight377.23 g/mol
Exact Mass377.06
IUPAC NameN'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccccc1CO)N1CCOCC1
InChIInChI=1S/C13H19N3O2.HI/c14-13(16-5-7-18-8-6-16)15-9-11-3-1-2-4-12(11)10-17;/h1-4,17H,5-10H2,(H2,14,15);1H
InChIKeyLQMVZSQQUXWISO-UHFFFAOYSA-N
XLogP0.94
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
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-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
N'-[(2-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111073092
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077954
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
CID 111805322
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 86781929

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 111077296) is N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccccc1CO)N1CCOCC1.
What is the InChIKey of N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is LQMVZSQQUXWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.HI/c14-13(16-5-7-18-8-6-16)15-9-11-3-1-2-4-12(11)10-17;/h1-4,17H,5-10H2,(H2,14,15);1H.
What are the key properties of N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 377.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111077296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).