(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate

C31H21NO3 — CID 20590965

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C31H21NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(33)35-28-26-30(2,3)32(34)31(4,5)27-28/h28,34H,26-27H2,1-5H3
InChIKeyTZYQZFJCKKXWDT-UHFFFAOYSA-N
MW455.51 g/mol
LogP1.99
Rot. Bonds1

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate (PubChem CID 20590965) has the molecular formula C31H21NO3 and a molecular weight of 455.51 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate
PubChem CID20590965
Molecular FormulaC31H21NO3
Molecular Weight455.51 g/mol
Exact Mass455.15
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C31H21NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(33)35-28-26-30(2,3)32(34)31(4,5)27-28/h28,34H,26-27H2,1-5H3
InChIKeyTZYQZFJCKKXWDT-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate
CID 129208299
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
CID 20626758
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
CID 163897678
CID 163897678
[1-[2-[(E)-but-2-en-2-yl]peroxyethyl]-2,2,6,6-tetramethylpiperidin-4-yl] but-2-ynoate
CID 23569650
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
CID 158347381
1-O,3-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) benzene-1,3,5-tricarboxylate
CID 122697085
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine
CID 58825118

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate (CID 20590965) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate is CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate?
The InChIKey is TZYQZFJCKKXWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(33)35-28-26-30(2,3)32(34)31(4,5)27-28/h28,34H,26-27H2,1-5H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate has a molecular weight of 455.51 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate is sourced from PubChem (CID 20590965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).