1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine

C44H86N4 — CID 18691670

IUPAC1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
SMILESCCC(C1CC(C)(C)N(C)C(C)(C)C1)C(C1CC(C)(C)N(C)C(C)(C)C1)(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C44H86N4/c1-22-35(31-23-36(2,3)45(18)37(4,5)24-31)44(32-25-38(6,7)46(19)39(8,9)26-32,33-27-40(10,11)47(20)41(12,13)28-33)34-29-42(14,15)48(21)43(16,17)30-34/h31-35H,22-30H2,1-21H3
InChIKeyASRLDIMTXXWUCR-UHFFFAOYSA-N
MW671.20 g/mol
LogP10.60
Rot. Bonds6

About 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine

1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine (PubChem CID 18691670) has the molecular formula C44H86N4 and a molecular weight of 671.20 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
PubChem CID18691670
Molecular FormulaC44H86N4
Molecular Weight671.20 g/mol
Exact Mass670.69
IUPAC Name1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine
SMILESCCC(C1CC(C)(C)N(C)C(C)(C)C1)C(C1CC(C)(C)N(C)C(C)(C)C1)(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C44H86N4/c1-22-35(31-23-36(2,3)45(18)37(4,5)24-31)44(32-25-38(6,7)46(19)39(8,9)26-32,33-27-40(10,11)47(20)41(12,13)28-33)34-29-42(14,15)48(21)43(16,17)30-34/h31-35H,22-30H2,1-21H3
InChIKeyASRLDIMTXXWUCR-UHFFFAOYSA-N
XLogP10.60
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.20
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine (CID 18691670) is 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine is CCC(C1CC(C)(C)N(C)C(C)(C)C1)C(C1CC(C)(C)N(C)C(C)(C)C1)(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine?
The InChIKey is ASRLDIMTXXWUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H86N4/c1-22-35(31-23-36(2,3)45(18)37(4,5)24-31)44(32-25-38(6,7)46(19)39(8,9)26-32,33-27-40(10,11)47(20)41(12,13)28-33)34-29-42(14,15)48(21)43(16,17)30-34/h31-35H,22-30H2,1-21H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine?
1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine has a molecular weight of 671.20 g/mol, XLogP of 10.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-[1,1,1-tris(1,2,2,6,6-pentamethylpiperidin-4-yl)butan-2-yl]piperidine is sourced from PubChem (CID 18691670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).