1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

C19H34IN5O — CID 111838094

IUPAC1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)NCCOc1cccnc1.I
InChIInChI=1S/C19H33N5O.HI/c1-4-21-18(22-11-14-25-17-9-8-10-20-15-17)23-16-19(2,3)24-12-6-5-7-13-24;/h8-10,15H,4-7,11-14,16H2,1-3H3,(H2,21,22,23);1H
InChIKeyIVHVFFZGSBLIPL-UHFFFAOYSA-N
MW475.42 g/mol
LogP2.90
Rot. Bonds8

About 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (PubChem CID 111838094) has the molecular formula C19H34IN5O and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
PubChem CID111838094
Molecular FormulaC19H34IN5O
Molecular Weight475.42 g/mol
Exact Mass475.18
IUPAC Name1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCCCC1)NCCOc1cccnc1.I
InChIInChI=1S/C19H33N5O.HI/c1-4-21-18(22-11-14-25-17-9-8-10-20-15-17)23-16-19(2,3)24-12-6-5-7-13-24;/h8-10,15H,4-7,11-14,16H2,1-3H3,(H2,21,22,23);1H
InChIKeyIVHVFFZGSBLIPL-UHFFFAOYSA-N
XLogP2.90
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 52.90
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

2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838187
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192434
1-ethyl-2-[3-(2-oxoazepan-1-yl)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111838631
1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111835729
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111320061
1-ethyl-3-(2-pyridin-3-yloxyethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111834358
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320386
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320348
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111515576
2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834188
1-ethyl-3-propan-2-yl-2-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834610
tert-butyl N-[2-[[N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111321005

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (CID 111838094) is 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(C)N1CCCCC1)NCCOc1cccnc1.I.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The InChIKey is IVHVFFZGSBLIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.HI/c1-4-21-18(22-11-14-25-17-9-8-10-20-15-17)23-16-19(2,3)24-12-6-5-7-13-24;/h8-10,15H,4-7,11-14,16H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide has a molecular weight of 475.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111838094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).