1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine

C84H168N6 — CID 162059599

About 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine

1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine (PubChem CID 162059599) has the molecular formula C84H168N6 and a molecular weight of 1262.31 g/mol. Its IUPAC name is 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine.

Molecular Properties

• Compound Name: 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine
• PubChem CID: 162059599
• Molecular Formula: C84H168N6
• Molecular Weight: 1262.31 g/mol
• Exact Mass: 1261.33
• IUPAC Name: 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine
• SMILES: CC(C)(C)C1=CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC1CC(C(C)(C)C)=CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C
• InChI: InChI=1S/C15H31N.C15H29N.C14H29N.C14H27N.C13H27N.C13H25N/c2*1-13(2,3)12-9-10-16(14(4,5)6)15(7,8)11-12;2*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h12H,9-11H2,1-8H3;9H,10-11H2,1-8H3;11-12H,8-10H2,1-7H3;8,11H,9-10H2,1-7H3;11H,7-10H2,1-6H3;7H,8-10H2,1-6H3
• InChIKey: YZQOJRHFOXUQFO-UHFFFAOYSA-N
• XLogP: 23.35
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1262.31
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine?

The IUPAC name of 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine (CID 162059599) is 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine.

What is the SMILES notation for 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine?

The canonical SMILES for 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine is CC(C)(C)C1=CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)C(C)(C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC1CC(C(C)(C)C)=CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.

What is the InChIKey of 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine?

The InChIKey is YZQOJRHFOXUQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C15H29N.C14H29N.C14H27N.C13H27N.C13H25N/c2*1-13(2,3)12-9-10-16(14(4,5)6)15(7,8)11-12;2*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h12H,9-11H2,1-8H3;9H,10-11H2,1-8H3;11-12H,8-10H2,1-7H3;8,11H,9-10H2,1-7H3;11H,7-10H2,1-6H3;7H,8-10H2,1-6H3.

What are the key properties of 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine?

1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine has a molecular weight of 1262.31 g/mol, XLogP of 23.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine is sourced from PubChem (CID 162059599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).