(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine

C19H28N2 — CID 166955028

IUPAC(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
SMILESC=C/C=C\C=C1\C=NC(C2CCN(CC(C)C)CC2)=CC1
InChIInChI=1S/C19H28N2/c1-4-5-6-7-17-8-9-19(20-14-17)18-10-12-21(13-11-18)15-16(2)3/h4-7,9,14,16,18H,1,8,10-13,15H2,2-3H3/b6-5-,17-7+
InChIKeyLQHMGRBCWIYNOA-IANWOCAHSA-N
MW284.45 g/mol
LogP4.38
Rot. Bonds5

About (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine

(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine (PubChem CID 166955028) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine.

Molecular Properties

Compound Name(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
PubChem CID166955028
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
SMILESC=C/C=C\C=C1\C=NC(C2CCN(CC(C)C)CC2)=CC1
InChIInChI=1S/C19H28N2/c1-4-5-6-7-17-8-9-19(20-14-17)18-10-12-21(13-11-18)15-16(2)3/h4-7,9,14,16,18H,1,8,10-13,15H2,2-3H3/b6-5-,17-7+
InChIKeyLQHMGRBCWIYNOA-IANWOCAHSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The IUPAC name of (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine (CID 166955028) is (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine.
What is the SMILES notation for (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The canonical SMILES for (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine is C=C/C=C\C=C1\C=NC(C2CCN(CC(C)C)CC2)=CC1.
What is the InChIKey of (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
The InChIKey is LQHMGRBCWIYNOA-IANWOCAHSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-5-6-7-17-8-9-19(20-14-17)18-10-12-21(13-11-18)15-16(2)3/h4-7,9,14,16,18H,1,8,10-13,15H2,2-3H3/b6-5-,17-7+.
What are the key properties of (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine?
(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine has a molecular weight of 284.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine is sourced from PubChem (CID 166955028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).