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

C12H21NO2 — CID 22755911

IUPAC2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid
SMILESCN1C(C)(C)CC(=CC(=O)O)CC1(C)C
InChIInChI=1S/C12H21NO2/c1-11(2)7-9(6-10(14)15)8-12(3,4)13(11)5/h6H,7-8H2,1-5H3,(H,14,15)
InChIKeyHYZKLNYZEVFQKU-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.28
Rot. Bonds1

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

2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid (PubChem CID 22755911) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid.

Molecular Properties

Compound Name2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid
PubChem CID22755911
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid
SMILESCN1C(C)(C)CC(=CC(=O)O)CC1(C)C
InChIInChI=1S/C12H21NO2/c1-11(2)7-9(6-10(14)15)8-12(3,4)13(11)5/h6H,7-8H2,1-5H3,(H,14,15)
InChIKeyHYZKLNYZEVFQKU-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.28
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)acetic acid?
The IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid (CID 22755911) is 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid.
What is the SMILES notation for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid?
The canonical SMILES for 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid is CN1C(C)(C)CC(=CC(=O)O)CC1(C)C.
What is the InChIKey of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid?
The InChIKey is HYZKLNYZEVFQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2)7-9(6-10(14)15)8-12(3,4)13(11)5/h6H,7-8H2,1-5H3,(H,14,15).
What are the key properties of 2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid?
2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetic acid has a molecular weight of 211.30 g/mol, XLogP of 2.28, 1 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)acetic acid is sourced from PubChem (CID 22755911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).