N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C15H28IN3O — CID 109391757

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC1=CCOCC1)N1CCC(C)CC1.I
InChIInChI=1S/C15H27N3O.HI/c1-13-4-9-18(10-5-13)15(16-2)17-8-3-14-6-11-19-12-7-14;/h6,13H,3-5,7-12H2,1-2H3,(H,16,17);1H
InChIKeyZVJGEHGWKBFZFX-UHFFFAOYSA-N
MW393.31 g/mol
LogP2.65
Rot. Bonds3

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109391757) has the molecular formula C15H28IN3O and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109391757
Molecular FormulaC15H28IN3O
Molecular Weight393.31 g/mol
Exact Mass393.13
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC1=CCOCC1)N1CCC(C)CC1.I
InChIInChI=1S/C15H27N3O.HI/c1-13-4-9-18(10-5-13)15(16-2)17-8-3-14-6-11-19-12-7-14;/h6,13H,3-5,7-12H2,1-2H3,(H,16,17);1H
InChIKeyZVJGEHGWKBFZFX-UHFFFAOYSA-N
XLogP2.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 109395655
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-4-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 109392667
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide
CID 109393066
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 109391584
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 109391790
methyl 4-[[N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 109394935
1-cyclopentyl-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 109391303
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480193
1-(2-cyclopentylethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 75432425
1-(2,2-dicyclopropylethyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 75482607
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212040

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 109391757) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCC1=CCOCC1)N1CCC(C)CC1.I.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is ZVJGEHGWKBFZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.HI/c1-13-4-9-18(10-5-13)15(16-2)17-8-3-14-6-11-19-12-7-14;/h6,13H,3-5,7-12H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 393.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109391757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).