N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide

C12H23F3IN3 — CID 111983930

IUPACN-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)N1CCC(C)CC1.I
InChIInChI=1S/C12H22F3N3.HI/c1-3-16-11(17-7-6-12(13,14)15)18-8-4-10(2)5-9-18;/h10H,3-9H2,1-2H3,(H,16,17);1H
InChIKeyQIQARCPYTKUGLD-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.25
Rot. Bonds3

About N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide

N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111983930) has the molecular formula C12H23F3IN3 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111983930
Molecular FormulaC12H23F3IN3
Molecular Weight393.24 g/mol
Exact Mass393.09
IUPAC NameN-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)N1CCC(C)CC1.I
InChIInChI=1S/C12H22F3N3.HI/c1-3-16-11(17-7-6-12(13,14)15)18-8-4-10(2)5-9-18;/h10H,3-9H2,1-2H3,(H,16,17);1H
InChIKeyQIQARCPYTKUGLD-UHFFFAOYSA-N
XLogP3.25
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111983767
N-ethyl-4-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111210828
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
N-ethyl-4-methyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111212028
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212030
N-ethyl-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212086
N-ethyl-4-methyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111211580
N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211328
N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111984818
N-ethyl-4-methyl-N'-[2-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111211047
tert-butyl N-[3-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]carbamate
CID 111212217
N-ethyl-4-methyl-N'-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111209916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide (CID 111983930) is N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCC(F)(F)F)N1CCC(C)CC1.I.
What is the InChIKey of N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is QIQARCPYTKUGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3.HI/c1-3-16-11(17-7-6-12(13,14)15)18-8-4-10(2)5-9-18;/h10H,3-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 393.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111983930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).