2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid

C19H35NO2 — CID 22755900

IUPAC2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid
SMILESCCCCCCCCN1C(C)(C)CC(=CC(=O)O)CC1(C)C
InChIInChI=1S/C19H35NO2/c1-6-7-8-9-10-11-12-20-18(2,3)14-16(13-17(21)22)15-19(20,4)5/h13H,6-12,14-15H2,1-5H3,(H,21,22)
InChIKeyLPHDCIPZPOZEFZ-UHFFFAOYSA-N
MW309.49 g/mol
LogP5.01
Rot. Bonds8

About 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid

2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid (PubChem CID 22755900) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid
PubChem CID22755900
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid
SMILESCCCCCCCCN1C(C)(C)CC(=CC(=O)O)CC1(C)C
InChIInChI=1S/C19H35NO2/c1-6-7-8-9-10-11-12-20-18(2,3)14-16(13-17(21)22)15-19(20,4)5/h13H,6-12,14-15H2,1-5H3,(H,21,22)
InChIKeyLPHDCIPZPOZEFZ-UHFFFAOYSA-N
XLogP5.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.49
LogP ≤ 55.01
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-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid?
The IUPAC name of 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid (CID 22755900) is 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid is CCCCCCCCN1C(C)(C)CC(=CC(=O)O)CC1(C)C.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid?
The InChIKey is LPHDCIPZPOZEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-6-7-8-9-10-11-12-20-18(2,3)14-16(13-17(21)22)15-19(20,4)5/h13H,6-12,14-15H2,1-5H3,(H,21,22).
What are the key properties of 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid?
2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid has a molecular weight of 309.49 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-1-octylpiperidin-4-ylidene)acetic acid is sourced from PubChem (CID 22755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).