2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid

C15H25NO2 — CID 22755853

IUPAC2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid
SMILESC=CCC(C(=O)O)=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H25NO2/c1-7-8-12(13(17)18)11-9-14(2,3)16(6)15(4,5)10-11/h7H,1,8-10H2,2-6H3,(H,17,18)
InChIKeyOMDGVGUPJXJBGY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds3

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

2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid (PubChem CID 22755853) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid.

Molecular Properties

Compound Name2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid
PubChem CID22755853
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid
SMILESC=CCC(C(=O)O)=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H25NO2/c1-7-8-12(13(17)18)11-9-14(2,3)16(6)15(4,5)10-11/h7H,1,8-10H2,2-6H3,(H,17,18)
InChIKeyOMDGVGUPJXJBGY-UHFFFAOYSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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)pent-4-enoic acid?
The IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid (CID 22755853) is 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid.
What is the SMILES notation for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid?
The canonical SMILES for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid is C=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)pent-4-enoic acid?
The InChIKey is OMDGVGUPJXJBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-7-8-12(13(17)18)11-9-14(2,3)16(6)15(4,5)10-11/h7H,1,8-10H2,2-6H3,(H,17,18).
What are the key properties of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid?
2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)pent-4-enoic acid has a molecular weight of 251.37 g/mol, XLogP of 3.23, 3 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)pent-4-enoic acid is sourced from PubChem (CID 22755853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).