2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine

C40H78N4 — CID 18691677

IUPAC2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine
SMILESCCC(C1CC(C)(C)NC(C)(C)C1)C(C1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C40H78N4/c1-18-31(27-19-32(2,3)41-33(4,5)20-27)40(28-21-34(6,7)42-35(8,9)22-28,29-23-36(10,11)43-37(12,13)24-29)30-25-38(14,15)44-39(16,17)26-30/h27-31,41-44H,18-26H2,1-17H3
InChIKeyBCVLZTDDLWCLHU-UHFFFAOYSA-N
MW615.09 g/mol
LogP9.23
Rot. Bonds6

About 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine

2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine (PubChem CID 18691677) has the molecular formula C40H78N4 and a molecular weight of 615.09 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine
PubChem CID18691677
Molecular FormulaC40H78N4
Molecular Weight615.09 g/mol
Exact Mass614.62
IUPAC Name2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine
SMILESCCC(C1CC(C)(C)NC(C)(C)C1)C(C1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C40H78N4/c1-18-31(27-19-32(2,3)41-33(4,5)20-27)40(28-21-34(6,7)42-35(8,9)22-28,29-23-36(10,11)43-37(12,13)24-29)30-25-38(14,15)44-39(16,17)26-30/h27-31,41-44H,18-26H2,1-17H3
InChIKeyBCVLZTDDLWCLHU-UHFFFAOYSA-N
XLogP9.23
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.09
LogP ≤ 59.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine (CID 18691677) is 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine is CCC(C1CC(C)(C)NC(C)(C)C1)C(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 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine?
The InChIKey is BCVLZTDDLWCLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H78N4/c1-18-31(27-19-32(2,3)41-33(4,5)20-27)40(28-21-34(6,7)42-35(8,9)22-28,29-23-36(10,11)43-37(12,13)24-29)30-25-38(14,15)44-39(16,17)26-30/h27-31,41-44H,18-26H2,1-17H3.
What are the key properties of 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine?
2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine has a molecular weight of 615.09 g/mol, XLogP of 9.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine is sourced from PubChem (CID 18691677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).