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

C13H22ClNO2 — CID 141256666

IUPAC(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC(C)(C)N(Cl)C(C)(C)C1
InChIInChI=1S/C13H22ClNO2/c1-6-11(16)17-9-10-7-12(2,3)15(14)13(4,5)8-10/h6,10H,1,7-9H2,2-5H3
InChIKeyDBOJEZZHYYJHNA-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.14
Rot. Bonds3

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

(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate (PubChem CID 141256666) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
PubChem CID141256666
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1CC(C)(C)N(Cl)C(C)(C)C1
InChIInChI=1S/C13H22ClNO2/c1-6-11(16)17-9-10-7-12(2,3)15(14)13(4,5)8-10/h6,10H,1,7-9H2,2-5H3
InChIKeyDBOJEZZHYYJHNA-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141004528
(1,2,2,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141152931
2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
CID 90284723
(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
[1-(dimethoxymethyl)-2-hydroxy-1,3-diazinan-5-yl]methyl prop-2-enoate
CID 141288797
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 145111837
(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl 2-cyanoprop-2-enoate
CID 141174830
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
[2-[(3,5-dimethyladamantane-1-carbonyl)oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 3,5-dimethyladamantane-1-carboxylate
CID 90912106

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The IUPAC name of (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate (CID 141256666) is (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate.
What is the SMILES notation for (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The canonical SMILES for (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate is C=CC(=O)OCC1CC(C)(C)N(Cl)C(C)(C)C1.
What is the InChIKey of (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
The InChIKey is DBOJEZZHYYJHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c1-6-11(16)17-9-10-7-12(2,3)15(14)13(4,5)8-10/h6,10H,1,7-9H2,2-5H3.
What are the key properties of (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate?
(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate has a molecular weight of 259.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate is sourced from PubChem (CID 141256666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).