(1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate

C14H25NO2 — CID 144977628

IUPAC(1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCN(C)C(C)(C)C1C
InChIInChI=1S/C14H25NO2/c1-10(2)13(16)17-9-12-7-8-15(6)14(4,5)11(12)3/h11-12H,1,7-9H2,2-6H3
InChIKeyWUGHMYNRIIPYSX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.47
Rot. Bonds3

About (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate

(1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate (PubChem CID 144977628) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate
PubChem CID144977628
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCN(C)C(C)(C)C1C
InChIInChI=1S/C14H25NO2/c1-10(2)13(16)17-9-12-7-8-15(6)14(4,5)11(12)3/h11-12H,1,7-9H2,2-6H3
InChIKeyWUGHMYNRIIPYSX-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
(5,5-dimethyloxolan-3-yl)methyl 2-methylprop-2-enoate
CID 163450308
(1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 2-methylprop-2-enoate
CID 59256267
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
(3-hydroxy-3-methylcyclobutyl)methyl 2-methylprop-2-enoate
CID 156781576
(3-ethyl-2,4-dihydroxy-3-methylcyclopentyl)methyl 2-methylprop-2-enoate
CID 156697179
2-bicyclo[2.2.1]hept-5-enylmethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 69299162
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
thian-4-ylmethyl 2-methylprop-2-enoate
CID 163835794
(1,2,2,3-tetramethylpiperidin-4-yl) N-ethylcarbamate
CID 175337294
[9-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methyl 2-methylprop-2-enoate
CID 89204886
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920

Frequently Asked Questions

What is the IUPAC name of (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate (CID 144977628) is (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCN(C)C(C)(C)C1C.
What is the InChIKey of (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate?
The InChIKey is WUGHMYNRIIPYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)13(16)17-9-12-7-8-15(6)14(4,5)11(12)3/h11-12H,1,7-9H2,2-6H3.
What are the key properties of (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate?
(1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,3-tetramethylpiperidin-4-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 144977628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).