2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine

C40H78N4 — CID 131731190

IUPAC2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine
SMILESCC1(C)CC(C(C)(C2CC(C)(C)NC(C)(C)C2)C(C)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C40H78N4/c1-31(2)19-27(20-32(3,4)41-31)39(17,28-21-33(5,6)42-34(7,8)22-28)40(18,29-23-35(9,10)43-36(11,12)24-29)30-25-37(13,14)44-38(15,16)26-30/h27-30,41-44H,19-26H2,1-18H3
InChIKeyNNHCUUDLVIXLLQ-UHFFFAOYSA-N
MW615.09 g/mol
LogP9.23
Rot. Bonds5

About 2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine

2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine (PubChem CID 131731190) has the molecular formula C40H78N4 and a molecular weight of 615.09 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine
PubChem CID131731190
Molecular FormulaC40H78N4
Molecular Weight615.09 g/mol
Exact Mass614.62
IUPAC Name2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine
SMILESCC1(C)CC(C(C)(C2CC(C)(C)NC(C)(C)C2)C(C)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C40H78N4/c1-31(2)19-27(20-32(3,4)41-31)39(17,28-21-33(5,6)42-34(7,8)22-28)40(18,29-23-35(9,10)43-36(11,12)24-29)30-25-37(13,14)44-38(15,16)26-30/h27-30,41-44H,19-26H2,1-18H3
InChIKeyNNHCUUDLVIXLLQ-UHFFFAOYSA-N
XLogP9.23
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
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-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine (CID 131731190) is 2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine is CC1(C)CC(C(C)(C2CC(C)(C)NC(C)(C)C2)C(C)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine?
The InChIKey is NNHCUUDLVIXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H78N4/c1-31(2)19-27(20-32(3,4)41-31)39(17,28-21-33(5,6)42-34(7,8)22-28)40(18,29-23-35(9,10)43-36(11,12)24-29)30-25-37(13,14)44-38(15,16)26-30/h27-30,41-44H,19-26H2,1-18H3.
What are the key properties of 2,2,6,6-tetramethyl-4-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine?
2,2,6,6-tetramethyl-4-[2,3,3-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, 5 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-[2,3,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine is sourced from PubChem (CID 131731190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).