1-(4-methoxypiperidin-1-yl)ethanimine

C8H16N2O — CID 18727529

IUPAC1-(4-methoxypiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(OC)CC1
InChIInChI=1S/C8H16N2O/c1-7(9)10-5-3-8(11-2)4-6-10/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyUBWNPYKYGVGLRG-VQHVLOKHSA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds1

About 1-(4-methoxypiperidin-1-yl)ethanimine

1-(4-methoxypiperidin-1-yl)ethanimine (PubChem CID 18727529) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)ethanimine
PubChem CID18727529
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(4-methoxypiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(OC)CC1
InChIInChI=1S/C8H16N2O/c1-7(9)10-5-3-8(11-2)4-6-10/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyUBWNPYKYGVGLRG-VQHVLOKHSA-N
XLogP1.09
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(4-methoxypiperidin-1-yl)ethanimine?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)ethanimine (CID 18727529) is 1-(4-methoxypiperidin-1-yl)ethanimine.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)ethanimine?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)ethanimine is [H]/N=C(\C)N1CCC(OC)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)ethanimine?
The InChIKey is UBWNPYKYGVGLRG-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9)10-5-3-8(11-2)4-6-10/h8-9H,3-6H2,1-2H3/b9-7+.
What are the key properties of 1-(4-methoxypiperidin-1-yl)ethanimine?
1-(4-methoxypiperidin-1-yl)ethanimine has a molecular weight of 156.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)ethanimine is sourced from PubChem (CID 18727529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).