(1-methylpiperidin-4-yl) ethanimidate

C8H16N2O — CID 146388584

IUPAC(1-methylpiperidin-4-yl) ethanimidate
SMILES[H]/N=C(\C)OC1CCN(C)CC1
InChIInChI=1S/C8H16N2O/c1-7(9)11-8-3-5-10(2)6-4-8/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyQVFOUFDURALFRQ-VQHVLOKHSA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds1

About (1-methylpiperidin-4-yl) ethanimidate

(1-methylpiperidin-4-yl) ethanimidate (PubChem CID 146388584) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) ethanimidate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) ethanimidate
PubChem CID146388584
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(1-methylpiperidin-4-yl) ethanimidate
SMILES[H]/N=C(\C)OC1CCN(C)CC1
InChIInChI=1S/C8H16N2O/c1-7(9)11-8-3-5-10(2)6-4-8/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyQVFOUFDURALFRQ-VQHVLOKHSA-N
XLogP1.09
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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-methylpiperidin-4-yl) ethanimidate?
The IUPAC name of (1-methylpiperidin-4-yl) ethanimidate (CID 146388584) is (1-methylpiperidin-4-yl) ethanimidate.
What is the SMILES notation for (1-methylpiperidin-4-yl) ethanimidate?
The canonical SMILES for (1-methylpiperidin-4-yl) ethanimidate is [H]/N=C(\C)OC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) ethanimidate?
The InChIKey is QVFOUFDURALFRQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9)11-8-3-5-10(2)6-4-8/h8-9H,3-6H2,1-2H3/b9-7+.
What are the key properties of (1-methylpiperidin-4-yl) ethanimidate?
(1-methylpiperidin-4-yl) ethanimidate has a molecular weight of 156.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) ethanimidate is sourced from PubChem (CID 146388584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).