1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide

C19H34IN5O — CID 111568464

IUPAC1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc(OC)n1)NCCN1CCCCC1CC.I
InChIInChI=1S/C19H33N5O.HI/c1-4-17-10-6-7-13-24(17)14-12-21-19(20-5-2)22-15-16-9-8-11-18(23-16)25-3;/h8-9,11,17H,4-7,10,12-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyOKKXBYKPKLXRGS-UHFFFAOYSA-N
MW475.42 g/mol
LogP3.03
Rot. Bonds8

About 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide

1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111568464) has the molecular formula C19H34IN5O and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111568464
Molecular FormulaC19H34IN5O
Molecular Weight475.42 g/mol
Exact Mass475.18
IUPAC Name1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc(OC)n1)NCCN1CCCCC1CC.I
InChIInChI=1S/C19H33N5O.HI/c1-4-17-10-6-7-13-24(17)14-12-21-19(20-5-2)22-15-16-9-8-11-18(23-16)25-3;/h8-9,11,17H,4-7,10,12-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyOKKXBYKPKLXRGS-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111567710
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]guanidine
CID 111567711
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111983212
1-(3-ethoxypropyl)-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111223374
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906378
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111568744
2-[[ethylamino-[2-(2-ethylpiperidin-1-yl)ethylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111567735
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111568716
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943648
1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111567749
1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110943978
N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 110955578

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide (CID 111568464) is 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1cccc(OC)n1)NCCN1CCCCC1CC.I.
What is the InChIKey of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is OKKXBYKPKLXRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.HI/c1-4-17-10-6-7-13-24(17)14-12-21-19(20-5-2)22-15-16-9-8-11-18(23-16)25-3;/h8-9,11,17H,4-7,10,12-15H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 475.42 g/mol, XLogP of 3.03, 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-ethylpiperidin-1-yl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111568464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).