trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid

C26H46N2O6 — CID 18632419

IUPACtrans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid
SMILESCC1(C)CC([C@@H]2CC(C(=O)O)CC[C@]2(C(=O)O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C26H46N2O6/c1-22(2)12-17(13-23(3,4)27(22)33)19-11-16(20(29)30)9-10-26(19,21(31)32)18-14-24(5,6)28(34)25(7,8)15-18/h16-19,33-34H,9-15H2,1-8H3,(H,29,30)(H,31,32)/t16?,19-,26-/m0/s1
InChIKeyIXFHDVXSQIYGTL-AQGMDSIOSA-N
MW482.66 g/mol
LogP4.88
Rot. Bonds4

About trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid

trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid (PubChem CID 18632419) has the molecular formula C26H46N2O6 and a molecular weight of 482.66 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid
PubChem CID18632419
Molecular FormulaC26H46N2O6
Molecular Weight482.66 g/mol
Exact Mass482.34
IUPAC Nametrans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid
SMILESCC1(C)CC([C@@H]2CC(C(=O)O)CC[C@]2(C(=O)O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C26H46N2O6/c1-22(2)12-17(13-23(3,4)27(22)33)19-11-16(20(29)30)9-10-26(19,21(31)32)18-14-24(5,6)28(34)25(7,8)15-18/h16-19,33-34H,9-15H2,1-8H3,(H,29,30)(H,31,32)/t16?,19-,26-/m0/s1
InChIKeyIXFHDVXSQIYGTL-AQGMDSIOSA-N
XLogP4.88
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.66
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid?
The IUPAC name of trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid (CID 18632419) is trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid.
What is the SMILES notation for trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid?
The canonical SMILES for trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid is CC1(C)CC([C@@H]2CC(C(=O)O)CC[C@]2(C(=O)O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid?
The InChIKey is IXFHDVXSQIYGTL-AQGMDSIOSA-N. The full InChI is InChI=1S/C26H46N2O6/c1-22(2)12-17(13-23(3,4)27(22)33)19-11-16(20(29)30)9-10-26(19,21(31)32)18-14-24(5,6)28(34)25(7,8)15-18/h16-19,33-34H,9-15H2,1-8H3,(H,29,30)(H,31,32)/t16?,19-,26-/m0/s1.
What are the key properties of trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid?
trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid has a molecular weight of 482.66 g/mol, XLogP of 4.88, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)cyclohexane-1,4-dicarboxylic acid is sourced from PubChem (CID 18632419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).