(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate

C21H39NO3 — CID 126548120

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
SMILESCCC(C=O)CCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H39NO3/c1-6-17(16-23)12-10-8-7-9-11-13-19(24)25-18-14-20(2,3)22-21(4,5)15-18/h16-18,22H,6-15H2,1-5H3
InChIKeyLEIXHWNMXUPDAF-UHFFFAOYSA-N
MW353.55 g/mol
LogP4.79
Rot. Bonds11

About (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate

(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate (PubChem CID 126548120) has the molecular formula C21H39NO3 and a molecular weight of 353.55 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
PubChem CID126548120
Molecular FormulaC21H39NO3
Molecular Weight353.55 g/mol
Exact Mass353.29
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
SMILESCCC(C=O)CCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H39NO3/c1-6-17(16-23)12-10-8-7-9-11-13-19(24)25-18-14-20(2,3)22-21(4,5)15-18/h16-18,22H,6-15H2,1-5H3
InChIKeyLEIXHWNMXUPDAF-UHFFFAOYSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxodecanoate
CID 126551822
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
CID 137378199
bis(2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) heptanedioate
CID 121244522
(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
CID 90295268
10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 122433569
4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid
CID 76638051
[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
CID 153184887
CID 140704439
CID 140704439

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate (CID 126548120) is (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate is CCC(C=O)CCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate?
The InChIKey is LEIXHWNMXUPDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO3/c1-6-17(16-23)12-10-8-7-9-11-13-19(24)25-18-14-20(2,3)22-21(4,5)15-18/h16-18,22H,6-15H2,1-5H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate has a molecular weight of 353.55 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate is sourced from PubChem (CID 126548120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).