1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide

C24H35IN4O2 — CID 111779463

IUPAC1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccc(OC)cc1O)NC1CCN(Cc2ccccc2)CC1.I
InChIInChI=1S/C24H34N4O2.HI/c1-3-25-24(26-14-11-20-9-10-22(30-2)17-23(20)29)27-21-12-15-28(16-13-21)18-19-7-5-4-6-8-19;/h4-10,17,21,29H,3,11-16,18H2,1-2H3,(H2,25,26,27);1H
InChIKeyHKZDWCXQWURXPB-UHFFFAOYSA-N
MW538.47 g/mol
LogP3.78
Rot. Bonds8

About 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide

1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111779463) has the molecular formula C24H35IN4O2 and a molecular weight of 538.47 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID111779463
Molecular FormulaC24H35IN4O2
Molecular Weight538.47 g/mol
Exact Mass538.18
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccc(OC)cc1O)NC1CCN(Cc2ccccc2)CC1.I
InChIInChI=1S/C24H34N4O2.HI/c1-3-25-24(26-14-11-20-9-10-22(30-2)17-23(20)29)27-21-12-15-28(16-13-21)18-19-7-5-4-6-8-19;/h4-10,17,21,29H,3,11-16,18H2,1-2H3,(H2,25,26,27);1H
InChIKeyHKZDWCXQWURXPB-UHFFFAOYSA-N
XLogP3.78
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.47
LogP ≤ 53.78
H-Bond Donors ≤ 53
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-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]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-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine
CID 111548877
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110987226
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 110987589
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111548817
1-(1-benzylpiperidin-4-yl)-2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine
CID 111548873
1-(1-benzylpiperidin-4-yl)-2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethylguanidine
CID 110986692
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 110987167
1-(1-benzylpiperidin-4-yl)-2-[2-(diethylamino)ethyl]-3-ethylguanidine;hydroiodide
CID 110986373
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110987259
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[4-(2-phenylethoxy)butyl]guanidine
CID 110987168
1-(1-benzylpiperidin-4-yl)-2-(3-ethoxy-4-methylpentyl)-3-ethylguanidine;hydroiodide
CID 111548808
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 110987540

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide (CID 111779463) is 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1ccc(OC)cc1O)NC1CCN(Cc2ccccc2)CC1.I.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is HKZDWCXQWURXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2.HI/c1-3-25-24(26-14-11-20-9-10-22(30-2)17-23(20)29)27-21-12-15-28(16-13-21)18-19-7-5-4-6-8-19;/h4-10,17,21,29H,3,11-16,18H2,1-2H3,(H2,25,26,27);1H.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide?
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 538.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(2-hydroxy-4-methoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111779463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).