diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

C19H37NO6 — CID 67825631

IUPACdiethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(O)N1C(C)(C)CC(O)CC1(C)C.CCOC(=O)CCC(=O)OCC
InChIInChI=1S/C11H23NO2.C8H14O4/c1-8(13)12-10(2,3)6-9(14)7-11(12,4)5;1-3-11-7(9)5-6-8(10)12-4-2/h8-9,13-14H,6-7H2,1-5H3;3-6H2,1-2H3
InChIKeyVBCYMJHFIDXVGS-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.23
Rot. Bonds6

About diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol

diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 67825631) has the molecular formula C19H37NO6 and a molecular weight of 375.51 g/mol. Its IUPAC name is diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Namediethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID67825631
Molecular FormulaC19H37NO6
Molecular Weight375.51 g/mol
Exact Mass375.26
IUPAC Namediethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(O)N1C(C)(C)CC(O)CC1(C)C.CCOC(=O)CCC(=O)OCC
InChIInChI=1S/C11H23NO2.C8H14O4/c1-8(13)12-10(2,3)6-9(14)7-11(12,4)5;1-3-11-7(9)5-6-8(10)12-4-2/h8-9,13-14H,6-7H2,1-5H3;3-6H2,1-2H3
InChIKeyVBCYMJHFIDXVGS-UHFFFAOYSA-N
XLogP2.23
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol (CID 67825631) is diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is CC(O)N1C(C)(C)CC(O)CC1(C)C.CCOC(=O)CCC(=O)OCC.
What is the InChIKey of diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is VBCYMJHFIDXVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C8H14O4/c1-8(13)12-10(2,3)6-9(14)7-11(12,4)5;1-3-11-7(9)5-6-8(10)12-4-2/h8-9,13-14H,6-7H2,1-5H3;3-6H2,1-2H3.
What are the key properties of diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol?
diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 375.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 67825631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).