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

C12H26N4O — CID 51131563

IUPAC1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
SMILESCOCCN/C(N)=N/CCC1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-16-8-4-11(5-9-16)3-6-14-12(13)15-7-10-17-2/h11H,3-10H2,1-2H3,(H3,13,14,15)
InChIKeyPAAIIINNGPHSMZ-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.27
Rot. Bonds6

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

1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine (PubChem CID 51131563) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
PubChem CID51131563
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
SMILESCOCCN/C(N)=N/CCC1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-16-8-4-11(5-9-16)3-6-14-12(13)15-7-10-17-2/h11H,3-10H2,1-2H3,(H3,13,14,15)
InChIKeyPAAIIINNGPHSMZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine (CID 51131563) is 1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine is COCCN/C(N)=N/CCC1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
The InChIKey is PAAIIINNGPHSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-16-8-4-11(5-9-16)3-6-14-12(13)15-7-10-17-2/h11H,3-10H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine?
1-(2-methoxyethyl)-2-[2-(1-methylpiperidin-4-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-(1-methylpiperidin-4-yl)ethyl]guanidine is sourced from PubChem (CID 51131563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).