1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one

C24H31NO2 — CID 57081141

IUPAC1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
SMILESCC1(C)CCCC(C)(C)N1OC(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-23(2)16-11-17-24(3,4)25(23)27-22(20-14-9-6-10-15-20)18-21(26)19-12-7-5-8-13-19/h5-10,12-15,22H,11,16-18H2,1-4H3
InChIKeyPMTZUOIIBQIGIL-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.98
Rot. Bonds6

About 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one

1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one (PubChem CID 57081141) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one.

Molecular Properties

Compound Name1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
PubChem CID57081141
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
SMILESCC1(C)CCCC(C)(C)N1OC(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-23(2)16-11-17-24(3,4)25(23)27-22(20-14-9-6-10-15-20)18-21(26)19-12-7-5-8-13-19/h5-10,12-15,22H,11,16-18H2,1-4H3
InChIKeyPMTZUOIIBQIGIL-UHFFFAOYSA-N
XLogP5.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
chloroethane;2,2,6,6-tetramethyl-1-(1-phenylbutoxy)piperidine
CID 91166169
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
[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
N-ethyl-3-oxo-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanamide
CID 122388240
2,2,6,6-tetramethyl-1-[2-(oxiran-2-ylmethoxy)-1-phenylethoxy]piperidine
CID 22277884
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate
CID 87540495
(2R)-2-(4-methylphenyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanol
CID 102583972
methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate
CID 139052130
[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane
CID 139213166
palladium(2+);[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 4-[10,15,20-tris[4-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethoxy]carbonylphenyl]-21,23-dihydroporphyrin-5-yl]benzoate
CID 87541138
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one?
The IUPAC name of 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one (CID 57081141) is 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one.
What is the SMILES notation for 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one?
The canonical SMILES for 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one is CC1(C)CCCC(C)(C)N1OC(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one?
The InChIKey is PMTZUOIIBQIGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-23(2)16-11-17-24(3,4)25(23)27-22(20-14-9-6-10-15-20)18-21(26)19-12-7-5-8-13-19/h5-10,12-15,22H,11,16-18H2,1-4H3.
What are the key properties of 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one?
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one has a molecular weight of 365.52 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one is sourced from PubChem (CID 57081141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).