2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

C22H37IN4O — CID 111190469

IUPAC2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCCN1Cc1ccccc1)NC1CCC(O)CC1.I
InChIInChI=1S/C22H36N4O.HI/c1-2-23-22(25-19-11-13-21(27)14-12-19)24-16-20-10-6-7-15-26(20)17-18-8-4-3-5-9-18;/h3-5,8-9,19-21,27H,2,6-7,10-17H2,1H3,(H2,23,24,25);1H
InChIKeyYKIDONIRYPLSEH-UHFFFAOYSA-N
MW500.47 g/mol
LogP3.52
Rot. Bonds6

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

2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (PubChem CID 111190469) has the molecular formula C22H37IN4O and a molecular weight of 500.47 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
PubChem CID111190469
Molecular FormulaC22H37IN4O
Molecular Weight500.47 g/mol
Exact Mass500.20
IUPAC Name2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCCCN1Cc1ccccc1)NC1CCC(O)CC1.I
InChIInChI=1S/C22H36N4O.HI/c1-2-23-22(25-19-11-13-21(27)14-12-19)24-16-20-10-6-7-15-26(20)17-18-8-4-3-5-9-18;/h3-5,8-9,19-21,27H,2,6-7,10-17H2,1H3,(H2,23,24,25);1H
InChIKeyYKIDONIRYPLSEH-UHFFFAOYSA-N
XLogP3.52
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.47
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)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

2-[(1-benzylpyrrolidin-2-yl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111583369
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-ethyl-3-(2-hydroxyethyl)guanidine
CID 111985241
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 111583037
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986358
2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190104
2-[(1-benzylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide
CID 111078002
2-[[[(1-benzylpyrrolidin-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111582964
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111190685
2-[(1-benzylpyrrolidin-2-yl)methyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111583708
2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111146685
2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190741
methyl 5-[[N'-[(1-benzylpyrrolidin-2-yl)methyl]-N-ethylcarbamimidoyl]amino]pentanoate;hydroiodide
CID 111583883

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The IUPAC name of 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (CID 111190469) is 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is CCN/C(=N\CC1CCCCN1Cc1ccccc1)NC1CCC(O)CC1.I.
What is the InChIKey of 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The InChIKey is YKIDONIRYPLSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O.HI/c1-2-23-22(25-19-11-13-21(27)14-12-19)24-16-20-10-6-7-15-26(20)17-18-8-4-3-5-9-18;/h3-5,8-9,19-21,27H,2,6-7,10-17H2,1H3,(H2,23,24,25);1H.
What are the key properties of 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide has a molecular weight of 500.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-2-yl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111190469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).