1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide

C19H33IN4O — CID 111057091

IUPAC1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CCCN1CCC(O)CC1.I
InChIInChI=1S/C19H32N4O.HI/c1-3-15-7-5-8-16(4-2)18(15)22-19(20)21-11-6-12-23-13-9-17(24)10-14-23;/h5,7-8,17,24H,3-4,6,9-14H2,1-2H3,(H3,20,21,22);1H
InChIKeyMDLGLSHVYOMNSH-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.00
Rot. Bonds7

About 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide

1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111057091) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111057091
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC Name1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CCCN1CCC(O)CC1.I
InChIInChI=1S/C19H32N4O.HI/c1-3-15-7-5-8-16(4-2)18(15)22-19(20)21-11-6-12-23-13-9-17(24)10-14-23;/h5,7-8,17,24H,3-4,6,9-14H2,1-2H3,(H3,20,21,22);1H
InChIKeyMDLGLSHVYOMNSH-UHFFFAOYSA-N
XLogP3.00
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[amino-(2,6-diethylanilino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060530
1-(2,6-diethylphenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]guanidine
CID 111803616
1-(2,6-diethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065335
1-(2,6-diethylphenyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111081775
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111040778
1-(2,6-diethylphenyl)-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111067173
1-(2,6-diethylphenyl)-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111098480
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
2-(2-butoxyethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111075012
1-butyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine
CID 111057070
1-(2,6-diethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine;hydroiodide
CID 111074902
1-(2,6-diethylphenyl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine;hydroiodide
CID 111812452

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111057091) is 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide is CCc1cccc(CC)c1N/C(N)=N/CCCN1CCC(O)CC1.I.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is MDLGLSHVYOMNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-3-15-7-5-8-16(4-2)18(15)22-19(20)21-11-6-12-23-13-9-17(24)10-14-23;/h5,7-8,17,24H,3-4,6,9-14H2,1-2H3,(H3,20,21,22);1H.
What are the key properties of 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide?
1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111057091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).