bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one

C37H69N3O5 — CID 137378199

IUPACbis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C28H52N2O4.C9H17NO/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-8(2)5-7(11)6-9(3,4)10-8/h21-22,29-30H,9-20H2,1-8H3;10H,5-6H2,1-4H3
InChIKeyQZUZXKGLHTYBPK-UHFFFAOYSA-N
MW635.97 g/mol
LogP7.31
Rot. Bonds11

About bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 137378199) has the molecular formula C37H69N3O5 and a molecular weight of 635.97 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
PubChem CID137378199
Molecular FormulaC37H69N3O5
Molecular Weight635.97 g/mol
Exact Mass635.52
IUPAC Namebis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C28H52N2O4.C9H17NO/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-8(2)5-7(11)6-9(3,4)10-8/h21-22,29-30H,9-20H2,1-8H3;10H,5-6H2,1-4H3
InChIKeyQZUZXKGLHTYBPK-UHFFFAOYSA-N
XLogP7.31
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.97
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one (CID 137378199) is bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1.CC1(C)CC(OC(=O)CCCCCCCCC(=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) decanedioate;2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is QZUZXKGLHTYBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4.C9H17NO/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-8(2)5-7(11)6-9(3,4)10-8/h21-22,29-30H,9-20H2,1-8H3;10H,5-6H2,1-4H3.
What are the key properties of bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one?
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 635.97 g/mol, XLogP of 7.31, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 137378199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).