2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate

C14H25NO2 — CID 22759880

IUPAC2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H25NO2/c1-6-12(16)17-11-10-15-13(2,3)8-7-9-14(15,4)5/h6H,1,7-11H2,2-5H3
InChIKeyIQBUACMFVVBEAH-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.76
Rot. Bonds4

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

2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate (PubChem CID 22759880) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate
PubChem CID22759880
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H25NO2/c1-6-12(16)17-11-10-15-13(2,3)8-7-9-14(15,4)5/h6H,1,7-11H2,2-5H3
InChIKeyIQBUACMFVVBEAH-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate (CID 22759880) is 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate?
The InChIKey is IQBUACMFVVBEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-12(16)17-11-10-15-13(2,3)8-7-9-14(15,4)5/h6H,1,7-11H2,2-5H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate?
2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 22759880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).