2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate

C12H20NO3- — CID 21330422

IUPAC2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate
SMILESC=C(OC1CC(C)(C)NC(C)(C)C1)C(=O)[O-]
InChIInChI=1S/C12H21NO3/c1-8(10(14)15)16-9-6-11(2,3)13-12(4,5)7-9/h9,13H,1,6-7H2,2-5H3,(H,14,15)/p-1
InChIKeySQGQMAJDTOPRJD-UHFFFAOYSA-M
MW226.30 g/mol
LogP0.58
Rot. Bonds3

About 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate

2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate (PubChem CID 21330422) has the molecular formula C12H20NO3- and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate
PubChem CID21330422
Molecular FormulaC12H20NO3-
Molecular Weight226.30 g/mol
Exact Mass226.14
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate
SMILESC=C(OC1CC(C)(C)NC(C)(C)C1)C(=O)[O-]
InChIInChI=1S/C12H21NO3/c1-8(10(14)15)16-9-6-11(2,3)13-12(4,5)7-9/h9,13H,1,6-7H2,2-5H3,(H,14,15)/p-1
InChIKeySQGQMAJDTOPRJD-UHFFFAOYSA-M
XLogP0.58
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
CID 67107833
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
iodo (2,2,6,6-tetramethylpiperidin-4-yl) carbonate
CID 163508092
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 21134251
(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibromoacetate
CID 162509434
(2,2,6,6-tetramethylpiperidin-4-yl) cyanoformate
CID 87076911
bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclohexane-1,2-dicarboxylate
CID 70594525
2,2,6,6-tetramethyl-4-(1-phenylethenoxy)piperidine
CID 89240552
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
CID 70486948
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;(2,2,6,6-tetramethylpiperidin-4-yl) butanoate
CID 161160145
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate (CID 21330422) is 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate is C=C(OC1CC(C)(C)NC(C)(C)C1)C(=O)[O-].
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate?
The InChIKey is SQGQMAJDTOPRJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H21NO3/c1-8(10(14)15)16-9-6-11(2,3)13-12(4,5)7-9/h9,13H,1,6-7H2,2-5H3,(H,14,15)/p-1.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate?
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate has a molecular weight of 226.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyprop-2-enoate is sourced from PubChem (CID 21330422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).