N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide

C14H26F3IN4O — CID 111822482

IUPACN'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C14H25F3N4O.HI/c15-14(16,17)11-20-5-2-12(3-6-20)1-4-19-13(18)21-7-9-22-10-8-21;/h12H,1-11H2,(H2,18,19);1H
InChIKeyOUWDPVJAYJCTKF-UHFFFAOYSA-N
MW450.29 g/mol
LogP1.92
Rot. Bonds4

About N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111822482) has the molecular formula C14H26F3IN4O and a molecular weight of 450.29 g/mol. Its IUPAC name is N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111822482
Molecular FormulaC14H26F3IN4O
Molecular Weight450.29 g/mol
Exact Mass450.11
IUPAC NameN'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C14H25F3N4O.HI/c15-14(16,17)11-20-5-2-12(3-6-20)1-4-19-13(18)21-7-9-22-10-8-21;/h12H,1-11H2,(H2,18,19);1H
InChIKeyOUWDPVJAYJCTKF-UHFFFAOYSA-N
XLogP1.92
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide (CID 111822482) is N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is OUWDPVJAYJCTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O.HI/c15-14(16,17)11-20-5-2-12(3-6-20)1-4-19-13(18)21-7-9-22-10-8-21;/h12H,1-11H2,(H2,18,19);1H.
What are the key properties of N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 450.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111822482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).