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

C20H37NO2 — CID 22755913

IUPAC2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid
SMILESCCCCCCCCC(C(=O)O)=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C20H37NO2/c1-7-8-9-10-11-12-13-17(18(22)23)16-14-19(2,3)21(6)20(4,5)15-16/h7-15H2,1-6H3,(H,22,23)
InChIKeySENPDULBJZSWSP-UHFFFAOYSA-N
MW323.52 g/mol
LogP5.40
Rot. Bonds8

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

2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid (PubChem CID 22755913) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid.

Molecular Properties

Compound Name2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid
PubChem CID22755913
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid
SMILESCCCCCCCCC(C(=O)O)=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C20H37NO2/c1-7-8-9-10-11-12-13-17(18(22)23)16-14-19(2,3)21(6)20(4,5)15-16/h7-15H2,1-6H3,(H,22,23)
InChIKeySENPDULBJZSWSP-UHFFFAOYSA-N
XLogP5.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)decanoic acid?
The IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid (CID 22755913) is 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid.
What is the SMILES notation for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid?
The canonical SMILES for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid is CCCCCCCCC(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)decanoic acid?
The InChIKey is SENPDULBJZSWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-7-8-9-10-11-12-13-17(18(22)23)16-14-19(2,3)21(6)20(4,5)15-16/h7-15H2,1-6H3,(H,22,23).
What are the key properties of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid?
2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)decanoic acid has a molecular weight of 323.52 g/mol, XLogP of 5.40, 8 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)decanoic acid is sourced from PubChem (CID 22755913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).