(1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate

C13H22N2O — CID 91111710

IUPAC(1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate
SMILESC=CC=C/C(=N\CC)OC1CCN(C)CC1
InChIInChI=1S/C13H22N2O/c1-4-6-7-13(14-5-2)16-12-8-10-15(3)11-9-12/h4,6-7,12H,1,5,8-11H2,2-3H3/b7-6?,14-13+
InChIKeyUKMXKWUFRVGPFI-SXQLSBMESA-N
MW222.33 g/mol
LogP2.26
Rot. Bonds4

About (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate

(1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate (PubChem CID 91111710) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate
PubChem CID91111710
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate
SMILESC=CC=C/C(=N\CC)OC1CCN(C)CC1
InChIInChI=1S/C13H22N2O/c1-4-6-7-13(14-5-2)16-12-8-10-15(3)11-9-12/h4,6-7,12H,1,5,8-11H2,2-3H3/b7-6?,14-13+
InChIKeyUKMXKWUFRVGPFI-SXQLSBMESA-N
XLogP2.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate?
The IUPAC name of (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate (CID 91111710) is (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate is C=CC=C/C(=N\CC)OC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate?
The InChIKey is UKMXKWUFRVGPFI-SXQLSBMESA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-7-13(14-5-2)16-12-8-10-15(3)11-9-12/h4,6-7,12H,1,5,8-11H2,2-3H3/b7-6?,14-13+.
What are the key properties of (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate?
(1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate has a molecular weight of 222.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-ethylpenta-2,4-dienimidate is sourced from PubChem (CID 91111710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).