1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

C64H116N6O8 — CID 19754028

IUPAC1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCN1C(C)(C)CC(C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C64H116N6O8/c1-49(2)27-39(28-50(3,4)65-49)61(45(71)72,40-29-51(5,6)66-52(7,8)30-40)63(47(75)76,43-31-53(9,10)67-54(11,12)32-43)64(48(77)78,44-33-55(13,14)68-56(15,16)34-44)62(46(73)74,41-35-57(17,18)69(25)58(19,20)36-41)42-37-59(21,22)70(26)60(23,24)38-42/h39-44,65-68H,27-38H2,1-26H3,(H,71,72)(H,73,74)(H,75,76)(H,77,78)
InChIKeyMIOKEOHEWOLXDI-UHFFFAOYSA-N
MW1097.67 g/mol
LogP11.30
Rot. Bonds13

About 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid

1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (PubChem CID 19754028) has the molecular formula C64H116N6O8 and a molecular weight of 1097.67 g/mol. Its IUPAC name is 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
PubChem CID19754028
Molecular FormulaC64H116N6O8
Molecular Weight1097.67 g/mol
Exact Mass1096.89
IUPAC Name1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESCN1C(C)(C)CC(C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC1(C)C
InChIInChI=1S/C64H116N6O8/c1-49(2)27-39(28-50(3,4)65-49)61(45(71)72,40-29-51(5,6)66-52(7,8)30-40)63(47(75)76,43-31-53(9,10)67-54(11,12)32-43)64(48(77)78,44-33-55(13,14)68-56(15,16)34-44)62(46(73)74,41-35-57(17,18)69(25)58(19,20)36-41)42-37-59(21,22)70(26)60(23,24)38-42/h39-44,65-68H,27-38H2,1-26H3,(H,71,72)(H,73,74)(H,75,76)(H,77,78)
InChIKeyMIOKEOHEWOLXDI-UHFFFAOYSA-N
XLogP11.30
TPSA203.80 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001097.67
LogP ≤ 511.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid (CID 19754028) is 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is CN1C(C)(C)CC(C(C(=O)O)(C2CC(C)(C)N(C)C(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
The InChIKey is MIOKEOHEWOLXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H116N6O8/c1-49(2)27-39(28-50(3,4)65-49)61(45(71)72,40-29-51(5,6)66-52(7,8)30-40)63(47(75)76,43-31-53(9,10)67-54(11,12)32-43)64(48(77)78,44-33-55(13,14)68-56(15,16)34-44)62(46(73)74,41-35-57(17,18)69(25)58(19,20)36-41)42-37-59(21,22)70(26)60(23,24)38-42/h39-44,65-68H,27-38H2,1-26H3,(H,71,72)(H,73,74)(H,75,76)(H,77,78).
What are the key properties of 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid?
1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid has a molecular weight of 1097.67 g/mol, XLogP of 11.30, 13 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-2,3,4,4-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 19754028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).