4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C20H27IN4O — CID 110920328

IUPAC4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/Cc2ccc(OCc3ccccn3)cc2)CC1.I
InChIInChI=1S/C20H26N4O.HI/c1-16-9-12-24(13-10-16)20(21)23-14-17-5-7-19(8-6-17)25-15-18-4-2-3-11-22-18;/h2-8,11,16H,9-10,12-15H2,1H3,(H2,21,23);1H
InChIKeyIJBUZQRIAGAXHG-UHFFFAOYSA-N
MW466.37 g/mol
LogP3.83
Rot. Bonds5

About 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110920328) has the molecular formula C20H27IN4O and a molecular weight of 466.37 g/mol. Its IUPAC name is 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110920328
Molecular FormulaC20H27IN4O
Molecular Weight466.37 g/mol
Exact Mass466.12
IUPAC Name4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/Cc2ccc(OCc3ccccn3)cc2)CC1.I
InChIInChI=1S/C20H26N4O.HI/c1-16-9-12-24(13-10-16)20(21)23-14-17-5-7-19(8-6-17)25-15-18-4-2-3-11-22-18;/h2-8,11,16H,9-10,12-15H2,1H3,(H2,21,23);1H
InChIKeyIJBUZQRIAGAXHG-UHFFFAOYSA-N
XLogP3.83
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 53.83
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

3-methyl-N'-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111047995
N-ethyl-3-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145063
(3R)-N-ethyl-3-hydroxy-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111549887
4-ethoxy-N-ethyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111958653
1-tert-butyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111047656
1-cyclopropyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110987663
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
1-cyclopentyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110989574
N-ethyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205393
1-(3,5-dimethylphenyl)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111047653
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 110920328) is 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/Cc2ccc(OCc3ccccn3)cc2)CC1.I.
What is the InChIKey of 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is IJBUZQRIAGAXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.HI/c1-16-9-12-24(13-10-16)20(21)23-14-17-5-7-19(8-6-17)25-15-18-4-2-3-11-22-18;/h2-8,11,16H,9-10,12-15H2,1H3,(H2,21,23);1H.
What are the key properties of 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 466.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).