dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate

C18H33NO6 — CID 11845024

IUPACdimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate
SMILESCCC1(CC)CC(O)CC(CC)(CC)N1OC(C(=O)OC)C(=O)OC
InChIInChI=1S/C18H33NO6/c1-7-17(8-2)11-13(20)12-18(9-3,10-4)19(17)25-14(15(21)23-5)16(22)24-6/h13-14,20H,7-12H2,1-6H3
InChIKeyDOLGDSNKYKSQKB-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.21
Rot. Bonds8

About dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate

dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate (PubChem CID 11845024) has the molecular formula C18H33NO6 and a molecular weight of 359.46 g/mol. Its IUPAC name is dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate.

Molecular Properties

Compound Namedimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate
PubChem CID11845024
Molecular FormulaC18H33NO6
Molecular Weight359.46 g/mol
Exact Mass359.23
IUPAC Namedimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate
SMILESCCC1(CC)CC(O)CC(CC)(CC)N1OC(C(=O)OC)C(=O)OC
InChIInChI=1S/C18H33NO6/c1-7-17(8-2)11-13(20)12-18(9-3,10-4)19(17)25-14(15(21)23-5)16(22)24-6/h13-14,20H,7-12H2,1-6H3
InChIKeyDOLGDSNKYKSQKB-UHFFFAOYSA-N
XLogP2.21
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate?
The IUPAC name of dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate (CID 11845024) is dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate.
What is the SMILES notation for dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate?
The canonical SMILES for dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate is CCC1(CC)CC(O)CC(CC)(CC)N1OC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate?
The InChIKey is DOLGDSNKYKSQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO6/c1-7-17(8-2)11-13(20)12-18(9-3,10-4)19(17)25-14(15(21)23-5)16(22)24-6/h13-14,20H,7-12H2,1-6H3.
What are the key properties of dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate?
dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate has a molecular weight of 359.46 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2,2,6,6-tetraethyl-4-hydroxypiperidin-1-yl)oxypropanedioate is sourced from PubChem (CID 11845024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).