4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine

C18H34N2 — CID 5246251

IUPAC4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)(C)C1=CC(C2CC(C(C)(C)C)CCN2)NCC1
InChIInChI=1S/C18H34N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h11,14-16,19-20H,7-10,12H2,1-6H3
InChIKeyQMVOAOMOYMKJDF-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.74
Rot. Bonds1

About 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine

4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 5246251) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID5246251
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)(C)C1=CC(C2CC(C(C)(C)C)CCN2)NCC1
InChIInChI=1S/C18H34N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h11,14-16,19-20H,7-10,12H2,1-6H3
InChIKeyQMVOAOMOYMKJDF-UHFFFAOYSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine (CID 5246251) is 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine is CC(C)(C)C1=CC(C2CC(C(C)(C)C)CCN2)NCC1.
What is the InChIKey of 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is QMVOAOMOYMKJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h11,14-16,19-20H,7-10,12H2,1-6H3.
What are the key properties of 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine?
4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 278.48 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-tert-butylpiperidin-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5246251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).