N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

C20H34IN5O — CID 111143891

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccc(N2CC(C)OC(C)C2)nc1)N1CCCC(C)C1.I
InChIInChI=1S/C20H33N5O.HI/c1-15-6-5-9-24(12-15)20(21-4)23-11-18-7-8-19(22-10-18)25-13-16(2)26-17(3)14-25;/h7-8,10,15-17H,5-6,9,11-14H2,1-4H3,(H,21,23);1H
InChIKeyFJUQGUHGCFFNDR-UHFFFAOYSA-N
MW487.43 g/mol
LogP3.12
Rot. Bonds3

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111143891) has the molecular formula C20H34IN5O and a molecular weight of 487.43 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111143891
Molecular FormulaC20H34IN5O
Molecular Weight487.43 g/mol
Exact Mass487.18
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccc(N2CC(C)OC(C)C2)nc1)N1CCCC(C)C1.I
InChIInChI=1S/C20H33N5O.HI/c1-15-6-5-9-24(12-15)20(21-4)23-11-18-7-8-19(22-10-18)25-13-16(2)26-17(3)14-25;/h7-8,10,15-17H,5-6,9,11-14H2,1-4H3,(H,21,23);1H
InChIKeyFJUQGUHGCFFNDR-UHFFFAOYSA-N
XLogP3.12
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide with MolForge

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153167
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946385
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946386
N',4-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111209772
ethyl 1-[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110992948
ethyl 1-[N'-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110992934
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442062
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-hexyl-2-methylguanidine
CID 111160695
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111204927
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744843

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111143891) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1ccc(N2CC(C)OC(C)C2)nc1)N1CCCC(C)C1.I.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is FJUQGUHGCFFNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O.HI/c1-15-6-5-9-24(12-15)20(21-4)23-11-18-7-8-19(22-10-18)25-13-16(2)26-17(3)14-25;/h7-8,10,15-17H,5-6,9,11-14H2,1-4H3,(H,21,23);1H.
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 487.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111143891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).