methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate

C14H25NO2 — CID 87439347

IUPACmethyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate
SMILESCOC(=O)/C(C)=C/C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H25NO2/c1-10(12(16)17-6)7-11-8-13(2,3)15-14(4,5)9-11/h7,11,15H,8-9H2,1-6H3/b10-7+
InChIKeySAZLIHPTRNLFOY-JXMROGBWSA-N
MW239.36 g/mol
LogP2.66
Rot. Bonds2

About methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate

methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate (PubChem CID 87439347) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate
PubChem CID87439347
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate
SMILESCOC(=O)/C(C)=C/C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H25NO2/c1-10(12(16)17-6)7-11-8-13(2,3)15-14(4,5)9-11/h7,11,15H,8-9H2,1-6H3/b10-7+
InChIKeySAZLIHPTRNLFOY-JXMROGBWSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate?
The IUPAC name of methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate (CID 87439347) is methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate is COC(=O)/C(C)=C/C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate?
The InChIKey is SAZLIHPTRNLFOY-JXMROGBWSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(12(16)17-6)7-11-8-13(2,3)15-14(4,5)9-11/h7,11,15H,8-9H2,1-6H3/b10-7+.
What are the key properties of methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate?
methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)prop-2-enoate is sourced from PubChem (CID 87439347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).