2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide

C17H33IN4O2 — CID 119155210

IUPAC2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)C1CCCCC1)NC1CCC(=O)N(C)C1.I
InChIInChI=1S/C17H32N4O2.HI/c1-3-18-17(20-14-9-10-16(23)21(2)12-14)19-11-15(22)13-7-5-4-6-8-13;/h13-15,22H,3-12H2,1-2H3,(H2,18,19,20);1H
InChIKeySRONNDVTEPZKAT-UHFFFAOYSA-N
MW452.38 g/mol
LogP1.72
Rot. Bonds5

About 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide

2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide (PubChem CID 119155210) has the molecular formula C17H33IN4O2 and a molecular weight of 452.38 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
PubChem CID119155210
Molecular FormulaC17H33IN4O2
Molecular Weight452.38 g/mol
Exact Mass452.16
IUPAC Name2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(O)C1CCCCC1)NC1CCC(=O)N(C)C1.I
InChIInChI=1S/C17H32N4O2.HI/c1-3-18-17(20-14-9-10-16(23)21(2)12-14)19-11-15(22)13-7-5-4-6-8-13;/h13-15,22H,3-12H2,1-2H3,(H2,18,19,20);1H
InChIKeySRONNDVTEPZKAT-UHFFFAOYSA-N
XLogP1.72
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.38
LogP ≤ 51.72
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-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-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-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156266
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine;hydroiodide
CID 119155262
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119155463
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158630
2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111995518
2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111978397
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 119155537
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 119156311
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)thiourea
CID 115641119
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(naphthalen-2-ylmethyl)guanidine
CID 111996031
2-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111996580
2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 64667638

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide?
The IUPAC name of 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide (CID 119155210) is 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide is CCN/C(=N\CC(O)C1CCCCC1)NC1CCC(=O)N(C)C1.I.
What is the InChIKey of 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide?
The InChIKey is SRONNDVTEPZKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.HI/c1-3-18-17(20-14-9-10-16(23)21(2)12-14)19-11-15(22)13-7-5-4-6-8-13;/h13-15,22H,3-12H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide?
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide has a molecular weight of 452.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide is sourced from PubChem (CID 119155210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).