1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine

C18H36N4O — CID 111189500

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)N1CCCCC1C)NC1CCC(O)CC1
InChIInChI=1S/C18H36N4O/c1-4-19-18(21-16-8-10-17(23)11-9-16)20-13-15(3)22-12-6-5-7-14(22)2/h14-17,23H,4-13H2,1-3H3,(H2,19,20,21)
InChIKeySGCAJLGRIHZKQI-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.11
Rot. Bonds5

About 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine

1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111189500) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111189500
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)N1CCCCC1C)NC1CCC(O)CC1
InChIInChI=1S/C18H36N4O/c1-4-19-18(21-16-8-10-17(23)11-9-16)20-13-15(3)22-12-6-5-7-14(22)2/h14-17,23H,4-13H2,1-3H3,(H2,19,20,21)
InChIKeySGCAJLGRIHZKQI-UHFFFAOYSA-N
XLogP2.11
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.11
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'}

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Related Compounds

1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125898
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
CID 109438091
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111138631
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111190435
1-cyclopentyl-3-ethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 110990487
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187385
1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111979471
2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190048
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111190094
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144724
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine (CID 111189500) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine is CCN/C(=N\CC(C)N1CCCCC1C)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is SGCAJLGRIHZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-4-19-18(21-16-8-10-17(23)11-9-16)20-13-15(3)22-12-6-5-7-14(22)2/h14-17,23H,4-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine?
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 324.51 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111189500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).