[1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate

C20H31NO3 — CID 57020685

IUPAC[1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate
SMILESCC(=O)OC(COc1ccccc1)CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C20H31NO3/c1-16(22)24-18(15-23-17-10-7-6-8-11-17)14-21-19(2,3)12-9-13-20(21,4)5/h6-8,10-11,18H,9,12-15H2,1-5H3
InChIKeyZXFKASINQZLDEA-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.04
Rot. Bonds6

About [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate

[1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate (PubChem CID 57020685) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate
PubChem CID57020685
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name[1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate
SMILESCC(=O)OC(COc1ccccc1)CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C20H31NO3/c1-16(22)24-18(15-23-17-10-7-6-8-11-17)14-21-19(2,3)12-9-13-20(21,4)5/h6-8,10-11,18H,9,12-15H2,1-5H3
InChIKeyZXFKASINQZLDEA-UHFFFAOYSA-N
XLogP4.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-dioxoisoindol-2-yl)-3-phenoxypropan-2-yl] acetate
CID 101070696
[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-phenoxypropan-2-yl] acetate
CID 102589815
[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 163634845
[(2S)-1-(benzimidazol-1-yl)-3-phenoxypropan-2-yl] acetate
CID 1077021
[(2R)-1-(benzimidazol-1-yl)-3-phenoxypropan-2-yl] acetate
CID 1077022
[(2R)-1-cyano-3-phenoxypropan-2-yl] acetate
CID 101129348
[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate
CID 91428656
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
CID 11759173
[1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate
CID 3155816
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
CID 21390095
acetic acid;1-phenoxypropan-2-ol
CID 68567525
[1-[4-(dimethylcarbamoyl)phenoxy]-3-[3,4,6-tris[2-acetyloxy-3-[4-(dimethylcarbamoyl)phenoxy]propyl]-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-1-yl]propan-2-yl] acetate
CID 166896987

Frequently Asked Questions

What is the IUPAC name of [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate?
The IUPAC name of [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate (CID 57020685) is [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate.
What is the SMILES notation for [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate?
The canonical SMILES for [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate is CC(=O)OC(COc1ccccc1)CN1C(C)(C)CCCC1(C)C.
What is the InChIKey of [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate?
The InChIKey is ZXFKASINQZLDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-16(22)24-18(15-23-17-10-7-6-8-11-17)14-21-19(2,3)12-9-13-20(21,4)5/h6-8,10-11,18H,9,12-15H2,1-5H3.
What are the key properties of [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate?
[1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate has a molecular weight of 333.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate is sourced from PubChem (CID 57020685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).