1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine

C26H46N2 — CID 54009064

IUPAC1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
SMILESCC=CCN1C(C)(C)CC(=C2CC(C)(C)N(CC=CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H46N2/c1-11-13-15-27-23(3,4)17-21(18-24(27,5)6)22-19-25(7,8)28(16-14-12-2)26(9,10)20-22/h11-14H,15-20H2,1-10H3
InChIKeyKQZWPSZJOAKPHB-UHFFFAOYSA-N
MW386.67 g/mol
LogP6.74
Rot. Bonds4

About 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine

1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine (PubChem CID 54009064) has the molecular formula C26H46N2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
PubChem CID54009064
Molecular FormulaC26H46N2
Molecular Weight386.67 g/mol
Exact Mass386.37
IUPAC Name1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
SMILESCC=CCN1C(C)(C)CC(=C2CC(C)(C)N(CC=CC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H46N2/c1-11-13-15-27-23(3,4)17-21(18-24(27,5)6)22-19-25(7,8)28(16-14-12-2)26(9,10)20-22/h11-14H,15-20H2,1-10H3
InChIKeyKQZWPSZJOAKPHB-UHFFFAOYSA-N
XLogP6.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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diethyl-[2-(1,1,2,2,6,6-hexamethyl-3H-pyridin-1-ium-4-yl)ethyl]-methylazanium
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2,2,4,6,6-pentamethyl-1-[(E)-4-(2,2,4,6,6-pentamethylpiperidin-1-yl)but-2-enyl]piperidine
CID 20689832
2,2,6,6-tetramethyl-1-[(E)-4-(2,2,6,6-tetramethylpiperidin-1-yl)but-2-enyl]piperidine
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2,2,6,6-Tetramethyl-1-octadecyl-4-(2,2,6,6-tetramethyl-1-octadecylpiperidin-4-ylidene)piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine (CID 54009064) is 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine is CC=CCN1C(C)(C)CC(=C2CC(C)(C)N(CC=CC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine?
The InChIKey is KQZWPSZJOAKPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2/c1-11-13-15-27-23(3,4)17-21(18-24(27,5)6)22-19-25(7,8)28(16-14-12-2)26(9,10)20-22/h11-14H,15-20H2,1-10H3.
What are the key properties of 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine?
1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine has a molecular weight of 386.67 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-4-(1-but-2-enyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 54009064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).