1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate

C23H41N2O6- — CID 158347381

IUPAC1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
SMILESCC1(C)CC(OC(=O)CCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C23H41N2O6/c1-20(2)12-16(13-21(3,4)24(20)28)30-18(26)10-9-11-19(27)31-17-14-22(5,6)25(29)23(7,8)15-17/h16-17,28H,9-15H2,1-8H3/q-1
InChIKeyGRWZKIAWRCLRFF-UHFFFAOYSA-N
MW441.59 g/mol
LogP4.17
Rot. Bonds6

About 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate

1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate (PubChem CID 158347381) has the molecular formula C23H41N2O6- and a molecular weight of 441.59 g/mol. Its IUPAC name is 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate.

Molecular Properties

Compound Name1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
PubChem CID158347381
Molecular FormulaC23H41N2O6-
Molecular Weight441.59 g/mol
Exact Mass441.30
IUPAC Name1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
SMILESCC1(C)CC(OC(=O)CCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C23H41N2O6/c1-20(2)12-16(13-21(3,4)24(20)28)30-18(26)10-9-11-19(27)31-17-14-22(5,6)25(29)23(7,8)15-17/h16-17,28H,9-15H2,1-8H3/q-1
InChIKeyGRWZKIAWRCLRFF-UHFFFAOYSA-N
XLogP4.17
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate?
The IUPAC name of 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate (CID 158347381) is 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate.
What is the SMILES notation for 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate?
The canonical SMILES for 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate is CC1(C)CC(OC(=O)CCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O-].
What is the InChIKey of 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate?
The InChIKey is GRWZKIAWRCLRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N2O6/c1-20(2)12-16(13-21(3,4)24(20)28)30-18(26)10-9-11-19(27)31-17-14-22(5,6)25(29)23(7,8)15-17/h16-17,28H,9-15H2,1-8H3/q-1.
What are the key properties of 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate?
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate has a molecular weight of 441.59 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate is sourced from PubChem (CID 158347381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).