2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine

C32H60N2 — CID 156726335

IUPAC2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine
SMILESC=C(CC1CC(C)(C)NC(C)(C)C1)C(C)(C)CCC(C)(C)C(=C)CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C32H60N2/c1-23(17-25-19-29(7,8)33-30(9,10)20-25)27(3,4)15-16-28(5,6)24(2)18-26-21-31(11,12)34-32(13,14)22-26/h25-26,33-34H,1-2,15-22H2,3-14H3
InChIKeyIBUQZSHVGAMVDZ-UHFFFAOYSA-N
MW472.85 g/mol
LogP8.83
Rot. Bonds9

About 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine

2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine (PubChem CID 156726335) has the molecular formula C32H60N2 and a molecular weight of 472.85 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine
PubChem CID156726335
Molecular FormulaC32H60N2
Molecular Weight472.85 g/mol
Exact Mass472.48
IUPAC Name2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine
SMILESC=C(CC1CC(C)(C)NC(C)(C)C1)C(C)(C)CCC(C)(C)C(=C)CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C32H60N2/c1-23(17-25-19-29(7,8)33-30(9,10)20-25)27(3,4)15-16-28(5,6)24(2)18-26-21-31(11,12)34-32(13,14)22-26/h25-26,33-34H,1-2,15-22H2,3-14H3
InChIKeyIBUQZSHVGAMVDZ-UHFFFAOYSA-N
XLogP8.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.85
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine (CID 156726335) is 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine is C=C(CC1CC(C)(C)NC(C)(C)C1)C(C)(C)CCC(C)(C)C(=C)CC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine?
The InChIKey is IBUQZSHVGAMVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2/c1-23(17-25-19-29(7,8)33-30(9,10)20-25)27(3,4)15-16-28(5,6)24(2)18-26-21-31(11,12)34-32(13,14)22-26/h25-26,33-34H,1-2,15-22H2,3-14H3.
What are the key properties of 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine?
2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine has a molecular weight of 472.85 g/mol, XLogP of 8.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-[3,3,6,6-tetramethyl-2-methylidene-7-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]oct-7-enyl]piperidine is sourced from PubChem (CID 156726335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).