1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine

C22H42N2 — CID 21401044

IUPAC1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine
SMILESCCCCN1C(C)(C)CC(=C2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C22H42N2/c1-10-11-12-24-21(6,7)15-18(16-22(24,8)9)17-13-19(2,3)23-20(4,5)14-17/h23H,10-16H2,1-9H3
InChIKeyCLEIUVHCVWKYKO-UHFFFAOYSA-N
MW334.59 g/mol
LogP5.68
Rot. Bonds3

About 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine

1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine (PubChem CID 21401044) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine.

Molecular Properties

Compound Name1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine
PubChem CID21401044
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine
SMILESCCCCN1C(C)(C)CC(=C2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C22H42N2/c1-10-11-12-24-21(6,7)15-18(16-22(24,8)9)17-13-19(2,3)23-20(4,5)14-17/h23H,10-16H2,1-9H3
InChIKeyCLEIUVHCVWKYKO-UHFFFAOYSA-N
XLogP5.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.68
H-Bond Donors ≤ 51
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 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine?
The IUPAC name of 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine (CID 21401044) is 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine.
What is the SMILES notation for 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine?
The canonical SMILES for 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine is CCCCN1C(C)(C)CC(=C2CC(C)(C)NC(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine?
The InChIKey is CLEIUVHCVWKYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-10-11-12-24-21(6,7)15-18(16-22(24,8)9)17-13-19(2,3)23-20(4,5)14-17/h23H,10-16H2,1-9H3.
What are the key properties of 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine?
1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine has a molecular weight of 334.59 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,2,6,6-tetramethyl-4-(2,2,6,6-tetramethylpiperidin-4-ylidene)piperidine is sourced from PubChem (CID 21401044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).