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

C25H44N2O4 — CID 70486948

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.C=CC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H23NO2.C12H21NO2/c1-7-11(15)16-10-8-12(2,3)14(6)13(4,5)9-10;1-6-10(14)15-9-7-11(2,3)13-12(4,5)8-9/h7,10H,1,8-9H2,2-6H3;6,9,13H,1,7-8H2,2-5H3
InChIKeyZLGNUZPWNWQMNY-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.39
Rot. Bonds4

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

(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate (PubChem CID 70486948) has the molecular formula C25H44N2O4 and a molecular weight of 436.64 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
PubChem CID70486948
Molecular FormulaC25H44N2O4
Molecular Weight436.64 g/mol
Exact Mass436.33
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate
SMILESC=CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.C=CC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H23NO2.C12H21NO2/c1-7-11(15)16-10-8-12(2,3)14(6)13(4,5)9-10;1-6-10(14)15-9-7-11(2,3)13-12(4,5)8-9/h7,10H,1,8-9H2,2-6H3;6,9,13H,1,7-8H2,2-5H3
InChIKeyZLGNUZPWNWQMNY-UHFFFAOYSA-N
XLogP4.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate (CID 70486948) is (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate is C=CC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.C=CC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate?
The InChIKey is ZLGNUZPWNWQMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C12H21NO2/c1-7-11(15)16-10-8-12(2,3)14(6)13(4,5)9-10;1-6-10(14)15-9-7-11(2,3)13-12(4,5)8-9/h7,10H,1,8-9H2,2-6H3;6,9,13H,1,7-8H2,2-5H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate has a molecular weight of 436.64 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) prop-2-enoate is sourced from PubChem (CID 70486948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).