N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

C17H29IN4O2 — CID 120661059

IUPACN'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(c2ccco2)N2CCCCC2)CCO1.I
InChIInChI=1S/C17H28N4O2.HI/c1-14-13-21(9-11-22-14)17(18)19-12-15(16-6-5-10-23-16)20-7-3-2-4-8-20;/h5-6,10,14-15H,2-4,7-9,11-13H2,1H3,(H2,18,19);1H
InChIKeyZHXZQBCJSUXZII-UHFFFAOYSA-N
MW448.35 g/mol
LogP2.46
Rot. Bonds4

About N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120661059) has the molecular formula C17H29IN4O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120661059
Molecular FormulaC17H29IN4O2
Molecular Weight448.35 g/mol
Exact Mass448.13
IUPAC NameN'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(c2ccco2)N2CCCCC2)CCO1.I
InChIInChI=1S/C17H28N4O2.HI/c1-14-13-21(9-11-22-14)17(18)19-12-15(16-6-5-10-23-16)20-7-3-2-4-8-20;/h5-6,10,14-15H,2-4,7-9,11-13H2,1H3,(H2,18,19);1H
InChIKeyZHXZQBCJSUXZII-UHFFFAOYSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661071
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111027441
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117242
1,1-diethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111027437
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117305
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111027417
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine
CID 111027418
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924028
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(oxolan-2-ylmethyl)guanidine
CID 47083229
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111303684
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111028642

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120661059) is N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CC(c2ccco2)N2CCCCC2)CCO1.I.
What is the InChIKey of N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is ZHXZQBCJSUXZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.HI/c1-14-13-21(9-11-22-14)17(18)19-12-15(16-6-5-10-23-16)20-7-3-2-4-8-20;/h5-6,10,14-15H,2-4,7-9,11-13H2,1H3,(H2,18,19);1H.
What are the key properties of N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 448.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).