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

C16H28F3IN4O2 — CID 111984614

IUPACN-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C16H27F3N4O2.HI/c1-2-20-15(21-6-5-16(17,18)19)23-7-3-13(4-8-23)14(24)22-9-11-25-12-10-22;/h13H,2-12H2,1H3,(H,20,21);1H
InChIKeyIGKBYDWNAFXMCJ-UHFFFAOYSA-N
MW492.32 g/mol
LogP2.09
Rot. Bonds4

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

N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111984614) has the molecular formula C16H28F3IN4O2 and a molecular weight of 492.32 g/mol. Its IUPAC name is N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111984614
Molecular FormulaC16H28F3IN4O2
Molecular Weight492.32 g/mol
Exact Mass492.12
IUPAC NameN-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C16H27F3N4O2.HI/c1-2-20-15(21-6-5-16(17,18)19)23-7-3-13(4-8-23)14(24)22-9-11-25-12-10-22;/h13H,2-12H2,1H3,(H,20,21);1H
InChIKeyIGKBYDWNAFXMCJ-UHFFFAOYSA-N
XLogP2.09
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.32
LogP ≤ 52.09
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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Related Compounds

N-methyl-2-[1-[N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]carbamimidoyl]piperidin-4-yl]acetamide;hydroiodide
CID 109516512
2-[1-[N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]carbamimidoyl]piperidin-4-yl]-N-methylacetamide;hydroiodide
CID 109518022
2-[1-[N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]carbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 109518023
2-[[(2-methoxyethylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035426
2-[[ethylamino-[(3-ethyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111671061
N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111984610
N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111984611
N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111984615
N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 112019728
N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 112019729
N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 112019732
N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 112019733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide (CID 111984614) is N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCC(F)(F)F)N1CCC(C(=O)N2CCOCC2)CC1.I.
What is the InChIKey of N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is IGKBYDWNAFXMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N4O2.HI/c1-2-20-15(21-6-5-16(17,18)19)23-7-3-13(4-8-23)14(24)22-9-11-25-12-10-22;/h13H,2-12H2,1H3,(H,20,21);1H.
What are the key properties of N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 492.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111984614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).