N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

C19H30IN3O3 — CID 111958134

IUPACN'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1COc2ccccc2O1)N1CCC(OCC)CC1.I
InChIInChI=1S/C19H29N3O3.HI/c1-3-20-19(22-11-9-15(10-12-22)23-4-2)21-13-16-14-24-17-7-5-6-8-18(17)25-16;/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,20,21);1H
InChIKeyKWXLYPBRAMQTLM-UHFFFAOYSA-N
MW475.37 g/mol
LogP2.91
Rot. Bonds5

About N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111958134) has the molecular formula C19H30IN3O3 and a molecular weight of 475.37 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111958134
Molecular FormulaC19H30IN3O3
Molecular Weight475.37 g/mol
Exact Mass475.13
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1COc2ccccc2O1)N1CCC(OCC)CC1.I
InChIInChI=1S/C19H29N3O3.HI/c1-3-20-19(22-11-9-15(10-12-22)23-4-2)21-13-16-14-24-17-7-5-6-8-18(17)25-16;/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,20,21);1H
InChIKeyKWXLYPBRAMQTLM-UHFFFAOYSA-N
XLogP2.91
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.37
LogP ≤ 52.91
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'}

Analyze N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-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'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736506
4-acetyl-N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperazine-1-carboximidamide
CID 110963367
4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111960236
4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958732
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959786
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959764
4-ethoxy-N-ethyl-N'-[(4-ethylcyclohexyl)methyl]piperidine-1-carboximidamide
CID 111959193
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
N'-[3-(2,6-dimethylphenoxy)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958420
4-ethoxy-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111960507
4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958122

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (CID 111958134) is N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1COc2ccccc2O1)N1CCC(OCC)CC1.I.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is KWXLYPBRAMQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.HI/c1-3-20-19(22-11-9-15(10-12-22)23-4-2)21-13-16-14-24-17-7-5-6-8-18(17)25-16;/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,20,21);1H.
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 475.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).