1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine

C12H26N4O — CID 51131494

IUPAC1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
SMILESCOCCN/C(N)=N/CCN1CCC(C)CC1
InChIInChI=1S/C12H26N4O/c1-11-3-7-16(8-4-11)9-5-14-12(13)15-6-10-17-2/h11H,3-10H2,1-2H3,(H3,13,14,15)
InChIKeyCEFGMFNCARSXDE-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.27
Rot. Bonds6

About 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine

1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine (PubChem CID 51131494) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
PubChem CID51131494
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
SMILESCOCCN/C(N)=N/CCN1CCC(C)CC1
InChIInChI=1S/C12H26N4O/c1-11-3-7-16(8-4-11)9-5-14-12(13)15-6-10-17-2/h11H,3-10H2,1-2H3,(H3,13,14,15)
InChIKeyCEFGMFNCARSXDE-UHFFFAOYSA-N
XLogP0.27
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-butyl-1-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 111056663
1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 62367881
1-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059649
1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110927538
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-[3-(4-methylpiperidin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111034836
1-ethyl-2-(3-methoxypropyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 110973779
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110930274
2-[[(2-methoxyethylamino)-[3-(4-methylpiperidin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111544922
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine (CID 51131494) is 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine is COCCN/C(N)=N/CCN1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is CEFGMFNCARSXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-11-3-7-16(8-4-11)9-5-14-12(13)15-6-10-17-2/h11H,3-10H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine?
1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 242.37 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 51131494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).