bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate

C21H38N2O4 — CID 1244568

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
SMILESCC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C21H38N2O4/c1-18(2)10-14(11-19(3,4)22-18)26-16(24)9-17(25)27-15-12-20(5,6)23-21(7,8)13-15/h14-15,22-23H,9-13H2,1-8H3
InChIKeyDGBLGWVHPYOSAI-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.08
Rot. Bonds4

About bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate

bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate (PubChem CID 1244568) has the molecular formula C21H38N2O4 and a molecular weight of 382.55 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
PubChem CID1244568
Molecular FormulaC21H38N2O4
Molecular Weight382.55 g/mol
Exact Mass382.28
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
SMILESCC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C21H38N2O4/c1-18(2)10-14(11-19(3,4)22-18)26-16(24)9-17(25)27-15-12-20(5,6)23-21(7,8)13-15/h14-15,22-23H,9-13H2,1-8H3
InChIKeyDGBLGWVHPYOSAI-UHFFFAOYSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate (CID 1244568) is bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate is CC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate?
The InChIKey is DGBLGWVHPYOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O4/c1-18(2)10-14(11-19(3,4)22-18)26-16(24)9-17(25)27-15-12-20(5,6)23-21(7,8)13-15/h14-15,22-23H,9-13H2,1-8H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate?
bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate has a molecular weight of 382.55 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate is sourced from PubChem (CID 1244568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).