bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate

C22H40N2O4 — CID 70869077

IUPACbis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate
SMILESCC1NC(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)NC(C)C2C)C1C
InChIInChI=1S/C22H40N2O4/c1-13-15(3)23-21(5,6)11-17(13)27-19(25)9-10-20(26)28-18-12-22(7,8)24-16(4)14(18)2/h13-18,23-24H,9-12H2,1-8H3
InChIKeyVFWIPPADHMCANV-UHFFFAOYSA-N
MW396.57 g/mol
LogP3.18
Rot. Bonds5

About bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate

bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate (PubChem CID 70869077) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate.

Molecular Properties

Compound Namebis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate
PubChem CID70869077
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Namebis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate
SMILESCC1NC(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)NC(C)C2C)C1C
InChIInChI=1S/C22H40N2O4/c1-13-15(3)23-21(5,6)11-17(13)27-19(25)9-10-20(26)28-18-12-22(7,8)24-16(4)14(18)2/h13-18,23-24H,9-12H2,1-8H3
InChIKeyVFWIPPADHMCANV-UHFFFAOYSA-N
XLogP3.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate?
The IUPAC name of bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate (CID 70869077) is bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate.
What is the SMILES notation for bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate?
The canonical SMILES for bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate is CC1NC(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)NC(C)C2C)C1C.
What is the InChIKey of bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate?
The InChIKey is VFWIPPADHMCANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-13-15(3)23-21(5,6)11-17(13)27-19(25)9-10-20(26)28-18-12-22(7,8)24-16(4)14(18)2/h13-18,23-24H,9-12H2,1-8H3.
What are the key properties of bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate?
bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate has a molecular weight of 396.57 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,5,6-tetramethylpiperidin-4-yl) butanedioate is sourced from PubChem (CID 70869077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).