methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

C19H29NO3 — CID 13213172

IUPACmethyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(Cc1ccccc1)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C19H29NO3/c1-18(2)12-9-13-19(3,4)20(18)23-16(17(21)22-5)14-15-10-7-6-8-11-15/h6-8,10-11,16H,9,12-14H2,1-5H3
InChIKeyGQTHLGYJBQNTTC-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.75
Rot. Bonds5

About methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (PubChem CID 13213172) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
PubChem CID13213172
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Namemethyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(Cc1ccccc1)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C19H29NO3/c1-18(2)12-9-13-19(3,4)20(18)23-16(17(21)22-5)14-15-10-7-6-8-11-15/h6-8,10-11,16H,9,12-14H2,1-5H3
InChIKeyGQTHLGYJBQNTTC-UHFFFAOYSA-N
XLogP3.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate
CID 102100108
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 122388239
(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate
CID 139962469
methyl 2-(2-hydroxypropoxy)-3-phenylpropanoate
CID 176961822
[1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate
CID 139962468
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 102140721
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
4-[2-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]benzonitrile
CID 102460269
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The IUPAC name of methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (CID 13213172) is methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is COC(=O)C(Cc1ccccc1)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The InChIKey is GQTHLGYJBQNTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-18(2)12-9-13-19(3,4)20(18)23-16(17(21)22-5)14-15-10-7-6-8-11-15/h6-8,10-11,16H,9,12-14H2,1-5H3.
What are the key properties of methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate has a molecular weight of 319.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is sourced from PubChem (CID 13213172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).