[4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate

C28H44N2O4 — CID 54231034

IUPAC[4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate
SMILESCC1(C)CCCC(C)(C)N1CC(=O)Oc1ccc(OC(=O)CN2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C28H44N2O4/c1-25(2)15-9-16-26(3,4)29(25)19-23(31)33-21-11-13-22(14-12-21)34-24(32)20-30-27(5,6)17-10-18-28(30,7)8/h11-14H,9-10,15-20H2,1-8H3
InChIKeyQJGUWXIZESKRPV-UHFFFAOYSA-N
MW472.67 g/mol
LogP5.58
Rot. Bonds6

About [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate

[4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate (PubChem CID 54231034) has the molecular formula C28H44N2O4 and a molecular weight of 472.67 g/mol. Its IUPAC name is [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate.

Molecular Properties

Compound Name[4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate
PubChem CID54231034
Molecular FormulaC28H44N2O4
Molecular Weight472.67 g/mol
Exact Mass472.33
IUPAC Name[4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate
SMILESCC1(C)CCCC(C)(C)N1CC(=O)Oc1ccc(OC(=O)CN2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C28H44N2O4/c1-25(2)15-9-16-26(3,4)29(25)19-23(31)33-21-11-13-22(14-12-21)34-24(32)20-30-27(5,6)17-10-18-28(30,7)8/h11-14H,9-10,15-20H2,1-8H3
InChIKeyQJGUWXIZESKRPV-UHFFFAOYSA-N
XLogP5.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine;hydrochloride
CID 166629214
1-[2-(4-Methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
CID 166625660
Phenyl 2-piperidin-1-ylacetate
CID 13864426
Dodecyl-dimethyl-(2-oxo-2-phenoxyethyl)azanium
CID 14625454
Dimethyl-(2-oxo-2-phenoxyethyl)-tetradecylazanium
CID 54433707
[4-(2-Piperidin-1-ylethoxy)phenyl] acetate
CID 57008549
[1-Phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate
CID 57020685
Phenyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135960
Phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate
CID 58136025
Phenyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58136138
Phenyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate
CID 68134133
4-(2-{4-[(4-Methoxyphenoxy)methyl]piperidin-1-yl}-1,1-dimethylethyl)morpholine
CID 77094637

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate?
The IUPAC name of [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate (CID 54231034) is [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate.
What is the SMILES notation for [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate?
The canonical SMILES for [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate is CC1(C)CCCC(C)(C)N1CC(=O)Oc1ccc(OC(=O)CN2C(C)(C)CCCC2(C)C)cc1.
What is the InChIKey of [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate?
The InChIKey is QJGUWXIZESKRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O4/c1-25(2)15-9-16-26(3,4)29(25)19-23(31)33-21-11-13-22(14-12-21)34-24(32)20-30-27(5,6)17-10-18-28(30,7)8/h11-14H,9-10,15-20H2,1-8H3.
What are the key properties of [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate?
[4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate has a molecular weight of 472.67 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)acetyl]oxyphenyl] 2-(2,2,6,6-tetramethylpiperidin-1-yl)acetate is sourced from PubChem (CID 54231034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).