2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine

C34H66N2 — CID 152751855

IUPAC2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine
SMILESCCCCCCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C34H66N2/c1-11-13-15-17-19-21-23-35-31(3,4)25-29(26-32(35,5)6)30-27-33(7,8)36(34(9,10)28-30)24-22-20-18-16-14-12-2/h11-28H2,1-10H3
InChIKeyXALLONBWLCLFBL-UHFFFAOYSA-N
MW502.92 g/mol
LogP10.31
Rot. Bonds14

About 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine

2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine (PubChem CID 152751855) has the molecular formula C34H66N2 and a molecular weight of 502.92 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine
PubChem CID152751855
Molecular FormulaC34H66N2
Molecular Weight502.92 g/mol
Exact Mass502.52
IUPAC Name2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine
SMILESCCCCCCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C34H66N2/c1-11-13-15-17-19-21-23-35-31(3,4)25-29(26-32(35,5)6)30-27-33(7,8)36(34(9,10)28-30)24-22-20-18-16-14-12-2/h11-28H2,1-10H3
InChIKeyXALLONBWLCLFBL-UHFFFAOYSA-N
XLogP10.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)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 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine (CID 152751855) is 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine is CCCCCCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine?
The InChIKey is XALLONBWLCLFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N2/c1-11-13-15-17-19-21-23-35-31(3,4)25-29(26-32(35,5)6)30-27-33(7,8)36(34(9,10)28-30)24-22-20-18-16-14-12-2/h11-28H2,1-10H3.
What are the key properties of 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine?
2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine has a molecular weight of 502.92 g/mol, XLogP of 10.31, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-octyl-4-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)piperidine is sourced from PubChem (CID 152751855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).