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

C19H35F3IN3O2 — CID 109447480

IUPACN-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C19H34F3N3O2.HI/c1-2-23-18(24-11-5-4-10-19(20,21)22)25-12-8-16(9-13-25)27-15-17-7-3-6-14-26-17;/h16-17H,2-15H2,1H3,(H,23,24);1H
InChIKeyWNKZFKZUJYIRQU-UHFFFAOYSA-N
MW521.41 g/mol
LogP4.35
Rot. Bonds8

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

N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109447480) has the molecular formula C19H35F3IN3O2 and a molecular weight of 521.41 g/mol. Its IUPAC name is N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID109447480
Molecular FormulaC19H35F3IN3O2
Molecular Weight521.41 g/mol
Exact Mass521.17
IUPAC NameN-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1.I
InChIInChI=1S/C19H34F3N3O2.HI/c1-2-23-18(24-11-5-4-10-19(20,21)22)25-12-8-16(9-13-25)27-15-17-7-3-6-14-26-17;/h16-17H,2-15H2,1H3,(H,23,24);1H
InChIKeyWNKZFKZUJYIRQU-UHFFFAOYSA-N
XLogP4.35
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.41
LogP ≤ 54.35
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-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide (CID 109447480) is N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCCC(F)(F)F)N1CCC(OCC2CCCCO2)CC1.I.
What is the InChIKey of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WNKZFKZUJYIRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N3O2.HI/c1-2-23-18(24-11-5-4-10-19(20,21)22)25-12-8-16(9-13-25)27-15-17-7-3-6-14-26-17;/h16-17H,2-15H2,1H3,(H,23,24);1H.
What are the key properties of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide?
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 521.41 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109447480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).