(4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine

C10H16N2 — CID 144720422

IUPAC(4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine
SMILES[H]/N=C1\CN(C)CC\C1=C/C=C/C
InChIInChI=1S/C10H16N2/c1-3-4-5-9-6-7-12(2)8-10(9)11/h3-5,11H,6-8H2,1-2H3/b4-3+,9-5+,11-10+
InChIKeyXONOUDVGCFBSHW-VCLHBTKQSA-N
MW164.25 g/mol
LogP1.84
Rot. Bonds1

About (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine

(4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine (PubChem CID 144720422) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine.

Molecular Properties

Compound Name(4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine
PubChem CID144720422
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine
SMILES[H]/N=C1\CN(C)CC\C1=C/C=C/C
InChIInChI=1S/C10H16N2/c1-3-4-5-9-6-7-12(2)8-10(9)11/h3-5,11H,6-8H2,1-2H3/b4-3+,9-5+,11-10+
InChIKeyXONOUDVGCFBSHW-VCLHBTKQSA-N
XLogP1.84
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-propylidenepiperidin-3-imine
CID 123275226
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine
CID 123446877
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
CID 123494969
4-[(4-Methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123720024
1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
CID 123942337
(2Z)-2-(piperidin-1-ylmethyl)cycloocta-2,4-dien-1-imine
CID 124006917
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541
(4Z)-N-ethenyl-4-ethylidene-1-methylpiperidin-3-imine;methane
CID 142162049
(3Z)-N,1-dimethyl-3-propylidenepiperidin-4-imine
CID 143453287
1-Methyl-4-propan-2-ylidenepiperidin-3-imine
CID 145046777
(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane
CID 145197782

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine?
The IUPAC name of (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine (CID 144720422) is (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine.
What is the SMILES notation for (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine?
The canonical SMILES for (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine is [H]/N=C1\CN(C)CC\C1=C/C=C/C.
What is the InChIKey of (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine?
The InChIKey is XONOUDVGCFBSHW-VCLHBTKQSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-5-9-6-7-12(2)8-10(9)11/h3-5,11H,6-8H2,1-2H3/b4-3+,9-5+,11-10+.
What are the key properties of (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine?
(4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine has a molecular weight of 164.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(E)-but-2-enylidene]-1-methylpiperidin-3-imine is sourced from PubChem (CID 144720422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).