2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine

C53H108N6 — CID 167663294

About 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine

2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine (PubChem CID 167663294) has the molecular formula C53H108N6 and a molecular weight of 829.49 g/mol. Its IUPAC name is 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
• PubChem CID: 167663294
• Molecular Formula: C53H108N6
• Molecular Weight: 829.49 g/mol
• Exact Mass: 828.86
• IUPAC Name: 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
• SMILES: CC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C15H30N2.C13H27N.C13H25N.C12H26N2/c1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-12H2,1-6H3;11H,7-10H2,1-6H3;7H,8-10H2,1-6H3;7-10H2,1-6H3
• InChIKey: SGMLPFONIACTSL-UHFFFAOYSA-N
• XLogP: 12.19
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.49
LogP ≤ 5	12.19
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 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?

The IUPAC name of 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine (CID 167663294) is 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine.

What is the SMILES notation for 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?

The canonical SMILES for 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine is CC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1.

What is the InChIKey of 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?

The InChIKey is SGMLPFONIACTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.C13H27N.C13H25N.C12H26N2/c1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h7-12H2,1-6H3;11H,7-10H2,1-6H3;7H,8-10H2,1-6H3;7-10H2,1-6H3.

What are the key properties of 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?

2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine has a molecular weight of 829.49 g/mol, XLogP of 12.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine is sourced from PubChem (CID 167663294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).