1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide

C17H33IN6 — CID 111905288

IUPAC1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1cccn1)NCCN1CCCCC1C.I
InChIInChI=1S/C17H32N6.HI/c1-3-18-17(19-9-6-13-23-14-7-10-21-23)20-11-15-22-12-5-4-8-16(22)2;/h7,10,14,16H,3-6,8-9,11-13,15H2,1-2H3,(H2,18,19,20);1H
InChIKeyMAQCFKULTBHHCU-UHFFFAOYSA-N
MW448.40 g/mol
LogP2.32
Rot. Bonds8

About 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide

1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111905288) has the molecular formula C17H33IN6 and a molecular weight of 448.40 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
PubChem CID111905288
Molecular FormulaC17H33IN6
Molecular Weight448.40 g/mol
Exact Mass448.18
IUPAC Name1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1cccn1)NCCN1CCCCC1C.I
InChIInChI=1S/C17H32N6.HI/c1-3-18-17(19-9-6-13-23-14-7-10-21-23)20-11-15-22-12-5-4-8-16(22)2;/h7,10,14,16H,3-6,8-9,11-13,15H2,1-2H3,(H2,18,19,20);1H
InChIKeyMAQCFKULTBHHCU-UHFFFAOYSA-N
XLogP2.32
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-ethyl-3-(2-piperidin-1-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111415997
1-ethyl-2-(3-methoxypropyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110973782
1-(2-cyclopropylethyl)-3-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111604744
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111224525
1-(3-cyclopentyloxypropyl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904842
1-ethyl-3-(2-methoxyethyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110941905
1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904472
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778815
1-[4-[[N-ethyl-N'-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111905642
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111906311
1-ethyl-3-(5-methoxypentyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371594
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110940001

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide (CID 111905288) is 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CCCn1cccn1)NCCN1CCCCC1C.I.
What is the InChIKey of 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is MAQCFKULTBHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6.HI/c1-3-18-17(19-9-6-13-23-14-7-10-21-23)20-11-15-22-12-5-4-8-16(22)2;/h7,10,14,16H,3-6,8-9,11-13,15H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 448.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111905288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).