1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide

C18H35IN4O2 — CID 75425792

IUPAC1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CC2CCC1O2)NC1CCCN(CCOC)C1.I
InChIInChI=1S/C18H34N4O2.HI/c1-3-19-18(20-12-14-11-16-6-7-17(14)24-16)21-15-5-4-8-22(13-15)9-10-23-2;/h14-17H,3-13H2,1-2H3,(H2,19,20,21);1H
InChIKeyGDPASBMVORNCHD-UHFFFAOYSA-N
MW466.41 g/mol
LogP1.84
Rot. Bonds7

About 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide

1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 75425792) has the molecular formula C18H35IN4O2 and a molecular weight of 466.41 g/mol. Its IUPAC name is 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide
PubChem CID75425792
Molecular FormulaC18H35IN4O2
Molecular Weight466.41 g/mol
Exact Mass466.18
IUPAC Name1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CC2CCC1O2)NC1CCCN(CCOC)C1.I
InChIInChI=1S/C18H34N4O2.HI/c1-3-19-18(20-12-14-11-16-6-7-17(14)24-16)21-15-5-4-8-22(13-15)9-10-23-2;/h14-17H,3-13H2,1-2H3,(H2,19,20,21);1H
InChIKeyGDPASBMVORNCHD-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 51.84
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'}

Analyze 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide (CID 75425792) is 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\CC1CC2CCC1O2)NC1CCCN(CCOC)C1.I.
What is the InChIKey of 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is GDPASBMVORNCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2.HI/c1-3-19-18(20-12-14-11-16-6-7-17(14)24-16)21-15-5-4-8-22(13-15)9-10-23-2;/h14-17H,3-13H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 466.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 75425792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).