N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C21H44IN5 — CID 109490945

IUPACN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CC(C)N2CCN(CC)CC2)NCC)C1.I
InChIInChI=1S/C21H43N5.HI/c1-6-10-21(5)11-9-12-26(18-21)20(22-7-2)23-17-19(4)25-15-13-24(8-3)14-16-25;/h19H,6-18H2,1-5H3,(H,22,23);1H
InChIKeyHUEWIEYLUAEUNN-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.50
Rot. Bonds7

About N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490945) has the molecular formula C21H44IN5 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490945
Molecular FormulaC21H44IN5
Molecular Weight493.52 g/mol
Exact Mass493.26
IUPAC NameN-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CC(C)N2CCN(CC)CC2)NCC)C1.I
InChIInChI=1S/C21H43N5.HI/c1-6-10-21(5)11-9-12-26(18-21)20(22-7-2)23-17-19(4)25-15-13-24(8-3)14-16-25;/h19H,6-18H2,1-5H3,(H,22,23);1H
InChIKeyHUEWIEYLUAEUNN-UHFFFAOYSA-N
XLogP3.50
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145103
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490733
N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490448
N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490325
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860
N-ethyl-N'-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490351
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490799
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960866

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490945) is N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/CC(C)N2CCN(CC)CC2)NCC)C1.I.
What is the InChIKey of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is HUEWIEYLUAEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N5.HI/c1-6-10-21(5)11-9-12-26(18-21)20(22-7-2)23-17-19(4)25-15-13-24(8-3)14-16-25;/h19H,6-18H2,1-5H3,(H,22,23);1H.
What are the key properties of N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 493.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).