1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine

C26H50N2 — CID 21401018

IUPAC1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
SMILESCCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H50N2/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/h11-20H2,1-10H3
InChIKeyPFEJELKDWCNBIF-UHFFFAOYSA-N
MW390.70 g/mol
LogP7.19
Rot. Bonds6

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

1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine (PubChem CID 21401018) has the molecular formula C26H50N2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
PubChem CID21401018
Molecular FormulaC26H50N2
Molecular Weight390.70 g/mol
Exact Mass390.40
IUPAC Name1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine
SMILESCCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C26H50N2/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/h11-20H2,1-10H3
InChIKeyPFEJELKDWCNBIF-UHFFFAOYSA-N
XLogP7.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 57.19
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 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine (CID 21401018) is 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine is CCCCN1C(C)(C)CC(=C2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine?
The InChIKey is PFEJELKDWCNBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2/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/h11-20H2,1-10H3.
What are the key properties of 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine?
1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine has a molecular weight of 390.70 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 21401018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).