N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide

C16H25I2N3O2 — CID 109454443

IUPACN-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCO)N1CCC(Oc2ccccc2I)CC1.I
InChIInChI=1S/C16H24IN3O2.HI/c1-2-18-16(19-9-12-21)20-10-7-13(8-11-20)22-15-6-4-3-5-14(15)17;/h3-6,13,21H,2,7-12H2,1H3,(H,18,19);1H
InChIKeyVVWALQDXDGSQTD-UHFFFAOYSA-N
MW545.20 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109454443) has the molecular formula C16H25I2N3O2 and a molecular weight of 545.20 g/mol. Its IUPAC name is N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
PubChem CID109454443
Molecular FormulaC16H25I2N3O2
Molecular Weight545.20 g/mol
Exact Mass545.00
IUPAC NameN-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCO)N1CCC(Oc2ccccc2I)CC1.I
InChIInChI=1S/C16H24IN3O2.HI/c1-2-18-16(19-9-12-21)20-10-7-13(8-11-20)22-15-6-4-3-5-14(15)17;/h3-6,13,21H,2,7-12H2,1H3,(H,18,19);1H
InChIKeyVVWALQDXDGSQTD-UHFFFAOYSA-N
XLogP2.71
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.20
LogP ≤ 52.71
H-Bond Donors ≤ 52
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'}

Analyze N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-diethyl-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide
CID 109454427
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N-(cyclopropylmethyl)-4-(2-iodophenoxy)-N'-methylpiperidine-1-carboximidamide
CID 109454398
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N'-[(2-cyclopentyloxyphenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960196
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427606
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N-ethyl-N'-[4-(4-methylpiperazin-1-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426614
N-ethyl-N'-(4-morpholin-4-ylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide (CID 109454443) is N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCO)N1CCC(Oc2ccccc2I)CC1.I.
What is the InChIKey of N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is VVWALQDXDGSQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O2.HI/c1-2-18-16(19-9-12-21)20-10-7-13(8-11-20)22-15-6-4-3-5-14(15)17;/h3-6,13,21H,2,7-12H2,1H3,(H,18,19);1H.
What are the key properties of N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 545.20 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-hydroxyethyl)-4-(2-iodophenoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109454443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).