1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine

C47H94N2 — CID 141058691

IUPAC1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine
SMILESCCCCCCCCCCCCCCCCCCCCC(CC(C(C)CC)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C47H94N2/c1-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-40(41-35-44(4,5)48(12)45(6,7)36-41)34-43(39(3)15-2)42-37-46(8,9)49(13)47(10,11)38-42/h39-43H,14-38H2,1-13H3
InChIKeyVBUBGIWFJIDUJL-UHFFFAOYSA-N
MW687.28 g/mol
LogP14.88
Rot. Bonds25

About 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine

1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine (PubChem CID 141058691) has the molecular formula C47H94N2 and a molecular weight of 687.28 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine
PubChem CID141058691
Molecular FormulaC47H94N2
Molecular Weight687.28 g/mol
Exact Mass686.74
IUPAC Name1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine
SMILESCCCCCCCCCCCCCCCCCCCCC(CC(C(C)CC)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C47H94N2/c1-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-40(41-35-44(4,5)48(12)45(6,7)36-41)34-43(39(3)15-2)42-37-46(8,9)49(13)47(10,11)38-42/h39-43H,14-38H2,1-13H3
InChIKeyVBUBGIWFJIDUJL-UHFFFAOYSA-N
XLogP14.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.28
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
CID 134316434
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
CID 141204239
10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid
CID 66781134
decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid
CID 174929371
1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230
1-methyl-3-tetradecan-7-ylpyrrolidine
CID 166688622
1-butyl-4-(2-decan-4-ylspiro[3.3]heptan-6-yl)piperidine
CID 166678630
ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine
CID 159909594
1,1-dimethyl-2-(2-methylnonan-3-yl)cyclopropane
CID 123682782
1-methyl-2-(3-methylnonan-4-yl)cyclopropane
CID 91046160
nonan-3-ylcyclopentane
CID 19893531

Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine (CID 141058691) is 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine is CCCCCCCCCCCCCCCCCCCCC(CC(C(C)CC)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-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine?
The InChIKey is VBUBGIWFJIDUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H94N2/c1-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-40(41-35-44(4,5)48(12)45(6,7)36-41)34-43(39(3)15-2)42-37-46(8,9)49(13)47(10,11)38-42/h39-43H,14-38H2,1-13H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine?
1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine has a molecular weight of 687.28 g/mol, XLogP of 14.88, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-[3-methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)hexacosan-6-yl]piperidine is sourced from PubChem (CID 141058691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).