5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine

C18H28N2 — CID 89492811

IUPAC5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine
SMILESCC1CCN(C/C=C/c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C18H28N2/c1-15-9-12-20(13-10-15)11-5-6-17-8-7-16(14-19-17)18(2,3)4/h5-8,14-15H,9-13H2,1-4H3/b6-5+
InChIKeySKUNJMSQZCBBDE-AATRIKPKSA-N
MW272.44 g/mol
LogP4.12
Rot. Bonds3

About 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine

5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine (PubChem CID 89492811) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine
PubChem CID89492811
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine
SMILESCC1CCN(C/C=C/c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C18H28N2/c1-15-9-12-20(13-10-15)11-5-6-17-8-7-16(14-19-17)18(2,3)4/h5-8,14-15H,9-13H2,1-4H3/b6-5+
InChIKeySKUNJMSQZCBBDE-AATRIKPKSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]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 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine?
The IUPAC name of 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine (CID 89492811) is 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine.
What is the SMILES notation for 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine?
The canonical SMILES for 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine is CC1CCN(C/C=C/c2ccc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine?
The InChIKey is SKUNJMSQZCBBDE-AATRIKPKSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-9-12-20(13-10-15)11-5-6-17-8-7-16(14-19-17)18(2,3)4/h5-8,14-15H,9-13H2,1-4H3/b6-5+.
What are the key properties of 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine?
5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine has a molecular weight of 272.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(E)-3-(4-methylpiperidin-1-yl)prop-1-enyl]pyridine is sourced from PubChem (CID 89492811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).