N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide

C17H21N5 — CID 120580522

IUPACN-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/Cc2cccnn2)N2CCCCC2)cc1
InChIInChI=1S/C17H21N5/c1-3-8-15(9-4-1)20-17(22-12-5-2-6-13-22)18-14-16-10-7-11-19-21-16/h1,3-4,7-11H,2,5-6,12-14H2,(H,18,20)
InChIKeyOMDLMAXQKIFTTD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.93
Rot. Bonds3

About N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide

N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide (PubChem CID 120580522) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
PubChem CID120580522
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
SMILESc1ccc(N/C(=N/Cc2cccnn2)N2CCCCC2)cc1
InChIInChI=1S/C17H21N5/c1-3-8-15(9-4-1)20-17(22-12-5-2-6-13-22)18-14-16-10-7-11-19-21-16/h1,3-4,7-11H,2,5-6,12-14H2,(H,18,20)
InChIKeyOMDLMAXQKIFTTD-UHFFFAOYSA-N
XLogP2.93
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.93
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'}

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Related Compounds

N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708
N-phenyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 119119590
N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
CID 120913464
N'-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119152005
N-phenyl-N'-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidine-1-carboximidamide
CID 122099280
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
N'-[[4-(methylsulfamoyl)phenyl]methyl]-N-phenylpiperidine-1-carboximidamide
CID 111046434
N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111033624

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide (CID 120580522) is N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide is c1ccc(N/C(=N/Cc2cccnn2)N2CCCCC2)cc1.
What is the InChIKey of N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is OMDLMAXQKIFTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-3-8-15(9-4-1)20-17(22-12-5-2-6-13-22)18-14-16-10-7-11-19-21-16/h1,3-4,7-11H,2,5-6,12-14H2,(H,18,20).
What are the key properties of N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide?
N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 295.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 120580522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).