1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide

C23H39IN4O2 — CID 111963786

IUPAC1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCCN1CCC(N/C(=N/C)NCc2ccc(OC)cc2OC2CCCC2)CC1.I
InChIInChI=1S/C23H38N4O2.HI/c1-4-13-27-14-11-19(12-15-27)26-23(24-2)25-17-18-9-10-21(28-3)16-22(18)29-20-7-5-6-8-20;/h9-10,16,19-20H,4-8,11-15,17H2,1-3H3,(H2,24,25,26);1H
InChIKeyAJJZULYSCGMNBF-UHFFFAOYSA-N
MW530.50 g/mol
LogP4.17
Rot. Bonds8

About 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide

1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111963786) has the molecular formula C23H39IN4O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
PubChem CID111963786
Molecular FormulaC23H39IN4O2
Molecular Weight530.50 g/mol
Exact Mass530.21
IUPAC Name1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCCN1CCC(N/C(=N/C)NCc2ccc(OC)cc2OC2CCCC2)CC1.I
InChIInChI=1S/C23H38N4O2.HI/c1-4-13-27-14-11-19(12-15-27)26-23(24-2)25-17-18-9-10-21(28-3)16-22(18)29-20-7-5-6-8-20;/h9-10,16,19-20H,4-8,11-15,17H2,1-3H3,(H2,24,25,26);1H
InChIKeyAJJZULYSCGMNBF-UHFFFAOYSA-N
XLogP4.17
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 54.17
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-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)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

Related Compounds

1-cyclopentyl-3-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 111963781
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111016781
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256204
1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine;hydroiodide
CID 109404806
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111760346
1-cyclopentyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110989646
N-[2-[[N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111989597
1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111963826
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111963778
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111020023
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019316
2-methyl-1-(1-propylpiperidin-4-yl)-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111020062

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The IUPAC name of 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide (CID 111963786) is 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The canonical SMILES for 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide is CCCN1CCC(N/C(=N/C)NCc2ccc(OC)cc2OC2CCCC2)CC1.I.
What is the InChIKey of 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
The InChIKey is AJJZULYSCGMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2.HI/c1-4-13-27-14-11-19(12-15-27)26-23(24-2)25-17-18-9-10-21(28-3)16-22(18)29-20-7-5-6-8-20;/h9-10,16,19-20H,4-8,11-15,17H2,1-3H3,(H2,24,25,26);1H.
What are the key properties of 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide?
1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 530.50 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111963786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).