N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide

C17H29IN4 — CID 109401616

IUPACN-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccncc1C)N1CCC(C)CC1.I
InChIInChI=1S/C17H28N4.HI/c1-4-19-17(21-11-7-14(2)8-12-21)20-10-6-16-5-9-18-13-15(16)3;/h5,9,13-14H,4,6-8,10-12H2,1-3H3,(H,19,20);1H
InChIKeyCLKVBASKMADOMI-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.25
Rot. Bonds4

About N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide

N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109401616) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID109401616
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC NameN-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccncc1C)N1CCC(C)CC1.I
InChIInChI=1S/C17H28N4.HI/c1-4-19-17(21-11-7-14(2)8-12-21)20-10-6-16-5-9-18-13-15(16)3;/h5,9,13-14H,4,6-8,10-12H2,1-3H3,(H,19,20);1H
InChIKeyCLKVBASKMADOMI-UHFFFAOYSA-N
XLogP3.25
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.25
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-ethyl-3-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 109401209
ethyl 4-[N-ethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 109401320
N-cyclopropyl-2-[4-[N-ethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 109403052
N-ethyl-3,3-dimethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboximidamide
CID 109405917
N-ethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 109402193
N-ethyl-2,2-dimethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489184
N-ethyl-2,2-dimethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]thiomorpholine-4-carboximidamide
CID 109489185
methyl 4-[[N-ethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 109405366
N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide
CID 111210091
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212030
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109404855
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109405358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 109401616) is N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1ccncc1C)N1CCC(C)CC1.I.
What is the InChIKey of N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CLKVBASKMADOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-4-19-17(21-11-7-14(2)8-12-21)20-10-6-16-5-9-18-13-15(16)3;/h5,9,13-14H,4,6-8,10-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide?
N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109401616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).