bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)

C88H183N7 — CID 157401925

About bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)

bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine) (PubChem CID 157401925) has the molecular formula C88H183N7 and a molecular weight of 1339.48 g/mol. Its IUPAC name is bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine).

Molecular Properties

• Compound Name: bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)
• PubChem CID: 157401925
• Molecular Formula: C88H183N7
• Molecular Weight: 1339.48 g/mol
• Exact Mass: 1338.45
• IUPAC Name: bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)
• SMILES: CC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/4C13H27N.3C12H25N/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;3*1-11(2,3)10-7-8-13(9-10)12(4,5)6/h2*11H,7-10H2,1-6H3;2*10-11,14H,7-9H2,1-6H3;3*10H,7-9H2,1-6H3
• InChIKey: BNGRQBCLDXXJJD-UHFFFAOYSA-N
• XLogP: 23.44
• TPSA: 40.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1339.48
LogP ≤ 5	23.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)?

The IUPAC name of bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine) (CID 157401925) is bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine).

What is the SMILES notation for bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)?

The canonical SMILES for bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine) is CC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.

What is the InChIKey of bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)?

The InChIKey is BNGRQBCLDXXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H27N.3C12H25N/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;3*1-11(2,3)10-7-8-13(9-10)12(4,5)6/h2*11H,7-10H2,1-6H3;2*10-11,14H,7-9H2,1-6H3;3*10H,7-9H2,1-6H3.

What are the key properties of bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)?

bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine) has a molecular weight of 1339.48 g/mol, XLogP of 23.44, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine) is sourced from PubChem (CID 157401925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).