(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate

C14H24NO2- — CID 19598977

IUPAC(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
SMILESC/C(=C\C1CC(C)(C)N(C)C(C)(C)C1)C(=O)[O-]
InChIInChI=1S/C14H25NO2/c1-10(12(16)17)7-11-8-13(2,3)15(6)14(4,5)9-11/h7,11H,8-9H2,1-6H3,(H,16,17)/p-1/b10-7+
InChIKeyUIZWPVOGWBRBLX-JXMROGBWSA-M
MW238.35 g/mol
LogP1.58
Rot. Bonds2

About (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate

(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate (PubChem CID 19598977) has the molecular formula C14H24NO2- and a molecular weight of 238.35 g/mol. Its IUPAC name is (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate.

Molecular Properties

Compound Name(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
PubChem CID19598977
Molecular FormulaC14H24NO2-
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
SMILESC/C(=C\C1CC(C)(C)N(C)C(C)(C)C1)C(=O)[O-]
InChIInChI=1S/C14H25NO2/c1-10(12(16)17)7-11-8-13(2,3)15(6)14(4,5)9-11/h7,11H,8-9H2,1-6H3,(H,16,17)/p-1/b10-7+
InChIKeyUIZWPVOGWBRBLX-JXMROGBWSA-M
XLogP1.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.58
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 (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The IUPAC name of (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate (CID 19598977) is (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate.
What is the SMILES notation for (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The canonical SMILES for (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate is C/C(=C\C1CC(C)(C)N(C)C(C)(C)C1)C(=O)[O-].
What is the InChIKey of (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The InChIKey is UIZWPVOGWBRBLX-JXMROGBWSA-M. The full InChI is InChI=1S/C14H25NO2/c1-10(12(16)17)7-11-8-13(2,3)15(6)14(4,5)9-11/h7,11H,8-9H2,1-6H3,(H,16,17)/p-1/b10-7+.
What are the key properties of (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
(E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate has a molecular weight of 238.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate is sourced from PubChem (CID 19598977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).