1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine

C50H100N2 — CID 22921377

IUPAC1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C1CC(C)(C)N(C)C(C)(C)C1)C(CC)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C50H100N2/c1-14-17-19-21-23-25-27-29-31-33-35-37-50(44-41-48(8,9)52(13)49(10,11)42-44,38-36-34-32-30-28-26-24-22-20-18-15-2)45(16-3)43-39-46(4,5)51(12)47(6,7)40-43/h43-45H,14-42H2,1-13H3
InChIKeyJCSLBWTZVAJXSZ-UHFFFAOYSA-N
MW729.36 g/mol
LogP16.20
Rot. Bonds28

About 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine

1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine (PubChem CID 22921377) has the molecular formula C50H100N2 and a molecular weight of 729.36 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine
PubChem CID22921377
Molecular FormulaC50H100N2
Molecular Weight729.36 g/mol
Exact Mass728.79
IUPAC Name1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C1CC(C)(C)N(C)C(C)(C)C1)C(CC)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C50H100N2/c1-14-17-19-21-23-25-27-29-31-33-35-37-50(44-41-48(8,9)52(13)49(10,11)42-44,38-36-34-32-30-28-26-24-22-20-18-15-2)45(16-3)43-39-46(4,5)51(12)47(6,7)40-43/h43-45H,14-42H2,1-13H3
InChIKeyJCSLBWTZVAJXSZ-UHFFFAOYSA-N
XLogP16.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.36
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]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-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine (CID 22921377) is 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine is CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C1CC(C)(C)N(C)C(C)(C)C1)C(CC)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine?
The InChIKey is JCSLBWTZVAJXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H100N2/c1-14-17-19-21-23-25-27-29-31-33-35-37-50(44-41-48(8,9)52(13)49(10,11)42-44,38-36-34-32-30-28-26-24-22-20-18-15-2)45(16-3)43-39-46(4,5)51(12)47(6,7)40-43/h43-45H,14-42H2,1-13H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine?
1,2,2,6,6-pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine has a molecular weight of 729.36 g/mol, XLogP of 16.20, 28 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-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine is sourced from PubChem (CID 22921377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).