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

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Related Compounds

N-[[4-[1-[(E)-3-(5-tert-butyl-2-pyridinyl)prop-2-enyl]piperidin-4-yl]piperazin-1-yl]methyl]methanimine
CID 163703617
5-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 107874553
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine
CID 59295698
5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine
CID 118632947
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-diethylpyrrolidin-3-amine
CID 59295543
(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine
CID 66047503
5-tert-butyl-N-(1-ethylpiperidin-4-yl)pyridin-2-amine
CID 107874539
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
(E)-4-(4-methylpiperidin-1-yl)but-2-enenitrile
CID 131236974
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
CID 70921626
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138

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).