4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide

C20H30IN3O — CID 109415269

IUPAC4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCO1)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C20H29N3O.HI/c1-2-21-20(22-16-19-9-6-14-24-19)23-12-10-18(11-13-23)15-17-7-4-3-5-8-17;/h3-5,7-8,15,19H,2,6,9-14,16H2,1H3,(H,21,22);1H
InChIKeyDIHCYJSEXDFROM-UHFFFAOYSA-N
MW455.38 g/mol
LogP3.93
Rot. Bonds4

About 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide

4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109415269) has the molecular formula C20H30IN3O and a molecular weight of 455.38 g/mol. Its IUPAC name is 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID109415269
Molecular FormulaC20H30IN3O
Molecular Weight455.38 g/mol
Exact Mass455.14
IUPAC Name4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCO1)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C20H29N3O.HI/c1-2-21-20(22-16-19-9-6-14-24-19)23-12-10-18(11-13-23)15-17-7-4-3-5-8-17;/h3-5,7-8,15,19H,2,6,9-14,16H2,1H3,(H,21,22);1H
InChIKeyDIHCYJSEXDFROM-UHFFFAOYSA-N
XLogP3.93
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.38
LogP ≤ 53.93
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

4-benzylidene-N-ethyl-N'-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboximidamide
CID 109415086
4-benzylidene-N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 109414792
N-ethyl-4-(2-hydroxyphenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide
CID 111186184
4-benzylidene-N-ethyl-N'-[(1-propylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 109414811
N-ethyl-N'-[(2-phenyloxan-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956733
4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109415437
N-ethyl-4-(4-fluorophenyl)-N'-(oxolan-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111165912
4-benzylidene-N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109414750
4-benzylidene-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 109414390
4-benzylidene-N-ethyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 109414911
4-[[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109414793
4-benzylidene-N-ethyl-N'-[(4-methylsulfanyloxan-4-yl)methyl]piperidine-1-carboximidamide
CID 109414345

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide (CID 109415269) is 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCCO1)N1CCC(=Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is DIHCYJSEXDFROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.HI/c1-2-21-20(22-16-19-9-6-14-24-19)23-12-10-18(11-13-23)15-17-7-4-3-5-8-17;/h3-5,7-8,15,19H,2,6,9-14,16H2,1H3,(H,21,22);1H.
What are the key properties of 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 455.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-ethyl-N'-(oxolan-2-ylmethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109415269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).