2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid

C17H31NO2 — CID 22755866

IUPAC2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid
SMILESCCCCN1C(C)(C)CC(=C(CC)C(=O)O)CC1(C)C
InChIInChI=1S/C17H31NO2/c1-7-9-10-18-16(3,4)11-13(12-17(18,5)6)14(8-2)15(19)20/h7-12H2,1-6H3,(H,19,20)
InChIKeyVLGHQXCUIOJGNS-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.23
Rot. Bonds5

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

2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid (PubChem CID 22755866) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid.

Molecular Properties

Compound Name2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid
PubChem CID22755866
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid
SMILESCCCCN1C(C)(C)CC(=C(CC)C(=O)O)CC1(C)C
InChIInChI=1S/C17H31NO2/c1-7-9-10-18-16(3,4)11-13(12-17(18,5)6)14(8-2)15(19)20/h7-12H2,1-6H3,(H,19,20)
InChIKeyVLGHQXCUIOJGNS-UHFFFAOYSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid?
The IUPAC name of 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid (CID 22755866) is 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid.
What is the SMILES notation for 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid?
The canonical SMILES for 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid is CCCCN1C(C)(C)CC(=C(CC)C(=O)O)CC1(C)C.
What is the InChIKey of 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid?
The InChIKey is VLGHQXCUIOJGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-7-9-10-18-16(3,4)11-13(12-17(18,5)6)14(8-2)15(19)20/h7-12H2,1-6H3,(H,19,20).
What are the key properties of 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid?
2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid has a molecular weight of 281.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanoic acid is sourced from PubChem (CID 22755866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).