(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate

C13H23NO2 — CID 141152931

IUPAC(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H23NO2/c1-6-12(15)16-9-11-7-10(2)14(5)13(3,4)8-11/h6,10-11H,1,7-9H2,2-5H3
InChIKeySJTUQQFCPUZOPP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.22
Rot. Bonds3

About (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate

(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate (PubChem CID 141152931) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
PubChem CID141152931
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H23NO2/c1-6-12(15)16-9-11-7-10(2)14(5)13(3,4)8-11/h6,10-11H,1,7-9H2,2-5H3
InChIKeySJTUQQFCPUZOPP-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141256666
(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141004528
(3-hydroxy-4-methylcyclohexyl)methyl prop-2-enoate
CID 58890213
2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
CID 90284723
(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate
CID 139639663
[(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
[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 145111837
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
CID 160642606
[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl prop-2-enoate
CID 166816208
(5-methyl-2-oxooxolan-3-yl)methyl prop-2-enoate
CID 163217032
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The IUPAC name of (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate (CID 141152931) is (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate.
What is the SMILES notation for (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The canonical SMILES for (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate is C=CC(=O)OCC1CC(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The InChIKey is SJTUQQFCPUZOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-12(15)16-9-11-7-10(2)14(5)13(3,4)8-11/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate has a molecular weight of 225.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate is sourced from PubChem (CID 141152931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).