N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide

C14H29IN4O — CID 111809281

IUPACN'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN(C)C1(C/N=C(\N)N2CCCCC2)CCOCC1.I
InChIInChI=1S/C14H28N4O.HI/c1-17(2)14(6-10-19-11-7-14)12-16-13(15)18-8-4-3-5-9-18;/h3-12H2,1-2H3,(H2,15,16);1H
InChIKeyCRBSOWZYQBSDQF-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.52
Rot. Bonds3

About N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111809281) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111809281
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC NameN'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN(C)C1(C/N=C(\N)N2CCCCC2)CCOCC1.I
InChIInChI=1S/C14H28N4O.HI/c1-17(2)14(6-10-19-11-7-14)12-16-13(15)18-8-4-3-5-9-18;/h3-12H2,1-2H3,(H2,15,16);1H
InChIKeyCRBSOWZYQBSDQF-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
CID 119120839
N'-[[4-(2-chlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111805279
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
N'-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111081407
N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide
CID 111824620
N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide
CID 97311105
N'-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]azetidine-1-carboximidamide
CID 122095314
N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120558150
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
4-(4-fluorophenyl)-N'-[(4-hydroxyoxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111089788
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111809281) is N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide is CN(C)C1(C/N=C(\N)N2CCCCC2)CCOCC1.I.
What is the InChIKey of N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CRBSOWZYQBSDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/c1-17(2)14(6-10-19-11-7-14)12-16-13(15)18-8-4-3-5-9-18;/h3-12H2,1-2H3,(H2,15,16);1H.
What are the key properties of N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111809281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).