4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide

C16H34IN5 — CID 110927363

IUPAC4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(C)CN2CCN(C)CC2)CC1.I
InChIInChI=1S/C16H33N5.HI/c1-14-4-6-21(7-5-14)16(17)18-12-15(2)13-20-10-8-19(3)9-11-20;/h14-15H,4-13H2,1-3H3,(H2,17,18);1H
InChIKeyHRWWXQSLYCPGQC-UHFFFAOYSA-N
MW423.39 g/mol
LogP1.53
Rot. Bonds4

About 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110927363) has the molecular formula C16H34IN5 and a molecular weight of 423.39 g/mol. Its IUPAC name is 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110927363
Molecular FormulaC16H34IN5
Molecular Weight423.39 g/mol
Exact Mass423.19
IUPAC Name4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CC(C)CN2CCN(C)CC2)CC1.I
InChIInChI=1S/C16H33N5.HI/c1-14-4-6-21(7-5-14)16(17)18-12-15(2)13-20-10-8-19(3)9-11-20;/h14-15H,4-13H2,1-3H3,(H2,17,18);1H
InChIKeyHRWWXQSLYCPGQC-UHFFFAOYSA-N
XLogP1.53
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 51.53
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

4-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 110919839
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070321
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
CID 111070313
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
ethyl 4-[[N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111070356
N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734690
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111070322
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030
tert-butyl N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-2-methylpropyl]-N-methylcarbamate;hydroiodide
CID 111117825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide (CID 110927363) is 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CC(C)CN2CCN(C)CC2)CC1.I.
What is the InChIKey of 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is HRWWXQSLYCPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5.HI/c1-14-4-6-21(7-5-14)16(17)18-12-15(2)13-20-10-8-19(3)9-11-20;/h14-15H,4-13H2,1-3H3,(H2,17,18);1H.
What are the key properties of 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 423.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110927363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).