N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide

C18H33F3IN3O2 — CID 109449152

IUPACN'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C18H32F3N3O2.HI/c1-22-17(23-10-4-3-9-18(19,20)21)24-11-7-15(8-12-24)26-14-16-6-2-5-13-25-16;/h15-16H,2-14H2,1H3,(H,22,23);1H
InChIKeyQEDLOOOXBXCMHW-UHFFFAOYSA-N
MW507.38 g/mol
LogP3.96
Rot. Bonds7

About N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide

N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109449152) has the molecular formula C18H33F3IN3O2 and a molecular weight of 507.38 g/mol. Its IUPAC name is N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID109449152
Molecular FormulaC18H33F3IN3O2
Molecular Weight507.38 g/mol
Exact Mass507.16
IUPAC NameN'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C18H32F3N3O2.HI/c1-22-17(23-10-4-3-9-18(19,20)21)24-11-7-15(8-12-24)26-14-16-6-2-5-13-25-16;/h15-16H,2-14H2,1H3,(H,22,23);1H
InChIKeyQEDLOOOXBXCMHW-UHFFFAOYSA-N
XLogP3.96
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-fluoropropyl)-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446643
N'-methyl-4-(oxan-2-ylmethoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 109446898
N'-methyl-4-(oxan-2-ylmethoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 109446899
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 109446990
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 109446991
N-ethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447072
N-ethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447073
N'-ethyl-4-(oxan-2-ylmethoxy)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide
CID 109447128
N'-ethyl-4-(oxan-2-ylmethoxy)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
CID 109447129
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109447190
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 109447191
N-methyl-2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109447262

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide (CID 109449152) is N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1.I.
What is the InChIKey of N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is QEDLOOOXBXCMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O2.HI/c1-22-17(23-10-4-3-9-18(19,20)21)24-11-7-15(8-12-24)26-14-16-6-2-5-13-25-16;/h15-16H,2-14H2,1H3,(H,22,23);1H.
What are the key properties of N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide?
N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 507.38 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(oxan-2-ylmethoxy)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109449152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).