[4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate

C24H39NO3 — CID 59135514

IUPAC[4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate
SMILESCC(=O)OCC(CC(C)CCON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C24H39NO3/c1-19(13-16-28-25-23(3,4)14-10-15-24(25,5)6)17-22(18-27-20(2)26)21-11-8-7-9-12-21/h7-9,11-12,19,22H,10,13-18H2,1-6H3
InChIKeyXNKJGTNNNSRRHS-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.72
Rot. Bonds9

About [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate

[4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate (PubChem CID 59135514) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate.

Molecular Properties

Compound Name[4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate
PubChem CID59135514
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name[4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate
SMILESCC(=O)OCC(CC(C)CCON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C24H39NO3/c1-19(13-16-28-25-23(3,4)14-10-15-24(25,5)6)17-22(18-27-20(2)26)21-11-8-7-9-12-21/h7-9,11-12,19,22H,10,13-18H2,1-6H3
InChIKeyXNKJGTNNNSRRHS-UHFFFAOYSA-N
XLogP5.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
[(2S)-2-phenylpropyl] acetate
CID 10261650
methyl (3S,4S)-1-[(1R)-1-phenylethyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate
CID 102165692
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
[(3R)-3-phenylbutyl] acetate
CID 12598598
[4-(2-methylpropanoyloxy)-3-phenylbutyl] 2-methylpropanoate
CID 123909270
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate
CID 72745116
1-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-ol;1-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-one;2,2,6,6-tetramethyl-1-propoxypiperidine
CID 162185733
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate
CID 101364279

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate?
The IUPAC name of [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate (CID 59135514) is [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate.
What is the SMILES notation for [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate?
The canonical SMILES for [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate is CC(=O)OCC(CC(C)CCON1C(C)(C)CCCC1(C)C)c1ccccc1.
What is the InChIKey of [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate?
The InChIKey is XNKJGTNNNSRRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-19(13-16-28-25-23(3,4)14-10-15-24(25,5)6)17-22(18-27-20(2)26)21-11-8-7-9-12-21/h7-9,11-12,19,22H,10,13-18H2,1-6H3.
What are the key properties of [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate?
[4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate has a molecular weight of 389.58 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate is sourced from PubChem (CID 59135514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).