2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine

C22H42N2 — CID 67959134

IUPAC2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
SMILESCC=CC(N1C(C)(C)CCCC1(C)C)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C22H42N2/c1-10-13-18(23-19(2,3)14-11-15-20(23,4)5)24-21(6,7)16-12-17-22(24,8)9/h10,13,18H,11-12,14-17H2,1-9H3
InChIKeyZEFHXHPLVCGARC-UHFFFAOYSA-N
MW334.59 g/mol
LogP5.97
Rot. Bonds3

About 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine

2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine (PubChem CID 67959134) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
PubChem CID67959134
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
SMILESCC=CC(N1C(C)(C)CCCC1(C)C)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C22H42N2/c1-10-13-18(23-19(2,3)14-11-15-20(23,4)5)24-21(6,7)16-12-17-22(24,8)9/h10,13,18H,11-12,14-17H2,1-9H3
InChIKeyZEFHXHPLVCGARC-UHFFFAOYSA-N
XLogP5.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine (CID 67959134) is 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine is CC=CC(N1C(C)(C)CCCC1(C)C)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine?
The InChIKey is ZEFHXHPLVCGARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-10-13-18(23-19(2,3)14-11-15-20(23,4)5)24-21(6,7)16-12-17-22(24,8)9/h10,13,18H,11-12,14-17H2,1-9H3.
What are the key properties of 2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine?
2,2,6,6-tetramethyl-1-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine has a molecular weight of 334.59 g/mol, XLogP of 5.97, 3 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-[1-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine is sourced from PubChem (CID 67959134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).