4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine

C33H65N3 — CID 58038487

IUPAC4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)CC(C1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C33H65N3/c1-26(2,3)22-33(23-16-27(4,5)34-28(6,7)17-23,24-18-29(8,9)35-30(10,11)19-24)25-20-31(12,13)36-32(14,15)21-25/h23-25,34-36H,16-22H2,1-15H3
InChIKeyGLNYLPYUDARGGJ-UHFFFAOYSA-N
MW503.90 g/mol
LogP8.08
Rot. Bonds4

About 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine

4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 58038487) has the molecular formula C33H65N3 and a molecular weight of 503.90 g/mol. Its IUPAC name is 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine
PubChem CID58038487
Molecular FormulaC33H65N3
Molecular Weight503.90 g/mol
Exact Mass503.52
IUPAC Name4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)CC(C1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C33H65N3/c1-26(2,3)22-33(23-16-27(4,5)34-28(6,7)17-23,24-18-29(8,9)35-30(10,11)19-24)25-20-31(12,13)36-32(14,15)21-25/h23-25,34-36H,16-22H2,1-15H3
InChIKeyGLNYLPYUDARGGJ-UHFFFAOYSA-N
XLogP8.08
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.90
LogP ≤ 58.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine (CID 58038487) is 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine is CC(C)(C)CC(C1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is GLNYLPYUDARGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65N3/c1-26(2,3)22-33(23-16-27(4,5)34-28(6,7)17-23,24-18-29(8,9)35-30(10,11)19-24)25-20-31(12,13)36-32(14,15)21-25/h23-25,34-36H,16-22H2,1-15H3.
What are the key properties of 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine?
4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 503.90 g/mol, XLogP of 8.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethyl-1,1-bis(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 58038487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).