2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid

C14H25NO2 — CID 22755856

IUPAC2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid
SMILESCCC(C(=O)O)=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25NO2/c1-7-11(12(16)17)10-8-13(2,3)15(6)14(4,5)9-10/h7-9H2,1-6H3,(H,16,17)
InChIKeyVRFLPSDCKWDLGV-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.06
Rot. Bonds2

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

2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid (PubChem CID 22755856) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid.

Molecular Properties

Compound Name2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid
PubChem CID22755856
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid
SMILESCCC(C(=O)O)=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H25NO2/c1-7-11(12(16)17)10-8-13(2,3)15(6)14(4,5)9-10/h7-9H2,1-6H3,(H,16,17)
InChIKeyVRFLPSDCKWDLGV-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.06
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-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid?
The IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid (CID 22755856) is 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid.
What is the SMILES notation for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid?
The canonical SMILES for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid is CCC(C(=O)O)=C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid?
The InChIKey is VRFLPSDCKWDLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-7-11(12(16)17)10-8-13(2,3)15(6)14(4,5)9-10/h7-9H2,1-6H3,(H,16,17).
What are the key properties of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid?
2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid has a molecular weight of 239.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)butanoic acid is sourced from PubChem (CID 22755856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).