(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate

C13H23NO2 — CID 141004528

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H23NO2/c1-6-11(15)16-9-10-7-12(2,3)14-13(4,5)8-10/h6,10,14H,1,7-9H2,2-5H3
InChIKeyVERIJMRUSPEOFB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.27
Rot. Bonds3

About (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate

(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate (PubChem CID 141004528) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
PubChem CID141004528
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H23NO2/c1-6-11(15)16-9-10-7-12(2,3)14-13(4,5)8-10/h6,10,14H,1,7-9H2,2-5H3
InChIKeyVERIJMRUSPEOFB-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141256666
2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
CID 90285006
(2,2,6,6-tetramethylpiperidin-4-yl) 6-prop-2-enoyloxyhexanoate
CID 90295268
(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141152931
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
CID 70486948
(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate
CID 58890213
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl prop-2-enoate
CID 11816189
(4-ethenyl-2-methylcyclopentyl)methyl prop-2-enoate
CID 142801588
[1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate
CID 141288797
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
CID 174899887
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate (CID 141004528) is (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate is C=CC(=O)OCC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The InChIKey is VERIJMRUSPEOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-11(15)16-9-10-7-12(2,3)14-13(4,5)8-10/h6,10,14H,1,7-9H2,2-5H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate has a molecular weight of 225.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate is sourced from PubChem (CID 141004528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).