N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

C12H20IN3O — CID 111031105

IUPACN'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccco1)N1CCCCC1
InChIInChI=1S/C12H19N3O.HI/c13-12(15-8-2-1-3-9-15)14-7-6-11-5-4-10-16-11;/h4-5,10H,1-3,6-9H2,(H2,13,14);1H
InChIKeyFZKHJZJJJHEXDS-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.24
Rot. Bonds3

About N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111031105) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111031105
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC NameN'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1ccco1)N1CCCCC1
InChIInChI=1S/C12H19N3O.HI/c13-12(15-8-2-1-3-9-15)14-7-6-11-5-4-10-16-11;/h4-5,10H,1-3,6-9H2,(H2,13,14);1H
InChIKeyFZKHJZJJJHEXDS-UHFFFAOYSA-N
XLogP2.24
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N'-[2-(furan-2-yl)ethyl]-N-(1-phenylethyl)pyrrolidine-1-carboximidamide
CID 111493000
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
ethyl 1-[N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110053251
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
4-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide
CID 111419615
N'-[2-(furan-2-yl)ethyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139978
N'-[2-(furan-2-yl)ethyl]-4-methyl-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139910

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111031105) is N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCc1ccco1)N1CCCCC1.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is FZKHJZJJJHEXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.HI/c13-12(15-8-2-1-3-9-15)14-7-6-11-5-4-10-16-11;/h4-5,10H,1-3,6-9H2,(H2,13,14);1H.
What are the key properties of N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 349.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111031105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).