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

C15H26F3IN4O2 — CID 111984610

IUPACN'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C15H25F3N4O2.HI/c1-19-14(20-5-4-15(16,17)18)22-6-2-12(3-7-22)13(23)21-8-10-24-11-9-21;/h12H,2-11H2,1H3,(H,19,20);1H
InChIKeyATTXUWSJKCUBBK-UHFFFAOYSA-N
MW478.30 g/mol
LogP1.70
Rot. Bonds3

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

N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111984610) has the molecular formula C15H26F3IN4O2 and a molecular weight of 478.30 g/mol. Its IUPAC name is N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111984610
Molecular FormulaC15H26F3IN4O2
Molecular Weight478.30 g/mol
Exact Mass478.11
IUPAC NameN'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)N1CCC(C(=O)N2CCOCC2)CC1.I
InChIInChI=1S/C15H25F3N4O2.HI/c1-19-14(20-5-4-15(16,17)18)22-6-2-12(3-7-22)13(23)21-8-10-24-11-9-21;/h12H,2-11H2,1H3,(H,19,20);1H
InChIKeyATTXUWSJKCUBBK-UHFFFAOYSA-N
XLogP1.70
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.30
LogP ≤ 51.70
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

4-Fluoro-4-(morpholine-4-carbonyl)-N-propylpiperidine-1-carboxamide
CID 132443361
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
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;hydroiodide
CID 111984614
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
2-[[ethylamino-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 112155742
N-(2-methoxyethyl)-2-[[N'-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 112155762

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide (CID 111984610) is N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCC(F)(F)F)N1CCC(C(=O)N2CCOCC2)CC1.I.
What is the InChIKey of N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is ATTXUWSJKCUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4O2.HI/c1-19-14(20-5-4-15(16,17)18)22-6-2-12(3-7-22)13(23)21-8-10-24-11-9-21;/h12H,2-11H2,1H3,(H,19,20);1H.
What are the key properties of N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide?
N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 478.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111984610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).