bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate

C27H48N2O6 — CID 129208299

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate
SMILESCC1CC(C)C(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C1C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C27H48N2O6/c1-16-11-17(2)21(23(31)35-19-14-26(7,8)29(33)27(9,10)15-19)20(16)22(30)34-18-12-24(3,4)28(32)25(5,6)13-18/h16-21,32-33H,11-15H2,1-10H3
InChIKeyWZWQYCNORQCEJF-UHFFFAOYSA-N
MW496.69 g/mol
LogP4.80
Rot. Bonds4

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate (PubChem CID 129208299) has the molecular formula C27H48N2O6 and a molecular weight of 496.69 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate
PubChem CID129208299
Molecular FormulaC27H48N2O6
Molecular Weight496.69 g/mol
Exact Mass496.35
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate
SMILESCC1CC(C)C(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C1C(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C27H48N2O6/c1-16-11-17(2)21(23(31)35-19-14-26(7,8)29(33)27(9,10)15-19)20(16)22(30)34-18-12-24(3,4)28(32)25(5,6)13-18/h16-21,32-33H,11-15H2,1-10H3
InChIKeyWZWQYCNORQCEJF-UHFFFAOYSA-N
XLogP4.80
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.69
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
1-O-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl) 4-O-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl) cyclohexane-1,4-dicarboxylate
CID 129212703
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
CID 20626758
1-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) cyclopentane-1,2,3,4-tetracarboxylate
CID 139317087
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
CID 163897678
CID 163897678
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
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) docosa-2,4,6,8,10,12,14,16,18,20-decaynoate
CID 20590965
1-O,3-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) benzene-1,3,5-tricarboxylate
CID 122697085
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709

Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate (CID 129208299) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate is CC1CC(C)C(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C1C(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate?
The InChIKey is WZWQYCNORQCEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O6/c1-16-11-17(2)21(23(31)35-19-14-26(7,8)29(33)27(9,10)15-19)20(16)22(30)34-18-12-24(3,4)28(32)25(5,6)13-18/h16-21,32-33H,11-15H2,1-10H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate has a molecular weight of 496.69 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 129208299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).