2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate

C40H58N2O6-2 — CID 22598269

IUPAC2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate
SMILESCC1(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(Oc3ccccc3)C(C)(C)C2)CC(C)(C)N1Oc1ccccc1
InChIInChI=1S/C40H60N2O6/c1-36(2)26-30(27-37(3,4)41(36)47-32-20-14-12-15-21-32)40(35(45)46,25-19-11-9-10-18-24-34(43)44)31-28-38(5,6)42(39(7,8)29-31)48-33-22-16-13-17-23-33/h12-17,20-23,30-31H,9-11,18-19,24-29H2,1-8H3,(H,43,44)(H,45,46)/p-2
InChIKeyAHFCTGGLYRZUQD-UHFFFAOYSA-L
MW662.91 g/mol
LogP6.73
Rot. Bonds15

About 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate

2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate (PubChem CID 22598269) has the molecular formula C40H58N2O6-2 and a molecular weight of 662.91 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate
PubChem CID22598269
Molecular FormulaC40H58N2O6-2
Molecular Weight662.91 g/mol
Exact Mass662.43
IUPAC Name2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate
SMILESCC1(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(Oc3ccccc3)C(C)(C)C2)CC(C)(C)N1Oc1ccccc1
InChIInChI=1S/C40H60N2O6/c1-36(2)26-30(27-37(3,4)41(36)47-32-20-14-12-15-21-32)40(35(45)46,25-19-11-9-10-18-24-34(43)44)31-28-38(5,6)42(39(7,8)29-31)48-33-22-16-13-17-23-33/h12-17,20-23,30-31H,9-11,18-19,24-29H2,1-8H3,(H,43,44)(H,45,46)/p-2
InChIKeyAHFCTGGLYRZUQD-UHFFFAOYSA-L
XLogP6.73
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.91
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis[2,2,6,6-tetramethyl-1-(phenylcarbamoyloxy)piperidin-4-yl]decanedioate
CID 19892333
2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate
CID 18533682
4-(2,2,6,6-tetramethyl-1-phenoxypiperidine-4-carbonyl)oxybenzoic acid
CID 118941568
2,2-bis[3-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)-2,2-dihydroxypropyl]decanedioate
CID 20510558
2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
CID 157140421
phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate
CID 23052589
heptanoate;triphenylsulfanium
CID 87067214
(Z)-18-[2,2,5,5-tetramethyl-3-(10-triphenylphosphaniumyldecoxycarbonyl)pyrrolidin-1-yl]octadec-9-enoate
CID 171471913
phenyl 6,6-dimethylheptanoate
CID 67351142
1-cyclopropyl-6-phenoxyhexan-1-one
CID 64505245
[2,2,7,7-tetramethyl-4-[4-oxo-4-[2,2,7,7-tetramethyl-1-(4-methylphenoxy)azepan-4-yl]oxybutanoyl]oxyazepan-1-yl]oxidanium
CID 149123947
(2,2,6,6-tetramethylpiperidin-1-yl) 6-hydroxy-8-phenyl-6-(2-phenylethynyl)oct-7-ynoate
CID 11397293

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate (CID 22598269) is 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate is CC1(C)CC(C(CCCCCCCC(=O)[O-])(C(=O)[O-])C2CC(C)(C)N(Oc3ccccc3)C(C)(C)C2)CC(C)(C)N1Oc1ccccc1.
What is the InChIKey of 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate?
The InChIKey is AHFCTGGLYRZUQD-UHFFFAOYSA-L. The full InChI is InChI=1S/C40H60N2O6/c1-36(2)26-30(27-37(3,4)41(36)47-32-20-14-12-15-21-32)40(35(45)46,25-19-11-9-10-18-24-34(43)44)31-28-38(5,6)42(39(7,8)29-31)48-33-22-16-13-17-23-33/h12-17,20-23,30-31H,9-11,18-19,24-29H2,1-8H3,(H,43,44)(H,45,46)/p-2.
What are the key properties of 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate?
2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate has a molecular weight of 662.91 g/mol, XLogP of 6.73, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)decanedioate is sourced from PubChem (CID 22598269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).