1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C14H31IN4 — CID 111086024

IUPAC1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(C)N1CCC(C)CC1.I
InChIInChI=1S/C14H30N4.HI/c1-5-17(6-2)14(15)16-11-13(4)18-9-7-12(3)8-10-18;/h12-13H,5-11H2,1-4H3,(H2,15,16);1H
InChIKeyXWKMDAWHGULCFT-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.38
Rot. Bonds5

About 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111086024) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111086024
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(C)N1CCC(C)CC1.I
InChIInChI=1S/C14H30N4.HI/c1-5-17(6-2)14(15)16-11-13(4)18-9-7-12(3)8-10-18;/h12-13H,5-11H2,1-4H3,(H2,15,16);1H
InChIKeyXWKMDAWHGULCFT-UHFFFAOYSA-N
XLogP2.38
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.38
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-methyl-N'-[2-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920423
N'-[2-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111086012
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111059666
1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086030
4-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919840
1,1-diethyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111055102
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059667
1-(3-ethoxypropyl)-2-[(2S)-2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 95333142
1,1-diethyl-2-(3-piperidin-1-ylbutyl)guanidine
CID 110032404
ethyl 4-[[N'-[2-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111086048
1-butyl-3-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111149681
1-(3-ethylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086038

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111086024) is 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/CC(C)N1CCC(C)CC1.I.
What is the InChIKey of 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is XWKMDAWHGULCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-5-17(6-2)14(15)16-11-13(4)18-9-7-12(3)8-10-18;/h12-13H,5-11H2,1-4H3,(H2,15,16);1H.
What are the key properties of 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111086024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).