[1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate

C16H31NO4 — CID 66868110

IUPAC[1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate
SMILESCOCC(COC1CC(C)(C)N(C)C(C)(C)C1)OC(C)=O
InChIInChI=1S/C16H31NO4/c1-12(18)21-14(10-19-7)11-20-13-8-15(2,3)17(6)16(4,5)9-13/h13-14H,8-11H2,1-7H3
InChIKeyVRTYVBRUFPELSZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.23
Rot. Bonds6

About [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate

[1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate (PubChem CID 66868110) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate.

Molecular Properties

Compound Name[1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate
PubChem CID66868110
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name[1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate
SMILESCOCC(COC1CC(C)(C)N(C)C(C)(C)C1)OC(C)=O
InChIInChI=1S/C16H31NO4/c1-12(18)21-14(10-19-7)11-20-13-8-15(2,3)17(6)16(4,5)9-13/h13-14H,8-11H2,1-7H3
InChIKeyVRTYVBRUFPELSZ-UHFFFAOYSA-N
XLogP2.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;methyl 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyacetate
CID 91350982
4-(methoxymethoxy)-1,2,2,6,6-pentamethylpiperidine
CID 59745303
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 167105370
[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
CID 130694563
1-methoxy-2,2,6,6-tetramethyl-4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethoxy]piperidine
CID 123943572
[2-(2-iodoacetyl)oxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropyl] 2,3,5-triiodobenzoate
CID 170392981
(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
CID 139944892
1-ethyl-4-methoxy-2,2,6,6-tetramethylpiperidine;3-methoxypentane;1-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-one
CID 158895889
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 68791470
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate?
The IUPAC name of [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate (CID 66868110) is [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate.
What is the SMILES notation for [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate?
The canonical SMILES for [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate is COCC(COC1CC(C)(C)N(C)C(C)(C)C1)OC(C)=O.
What is the InChIKey of [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate?
The InChIKey is VRTYVBRUFPELSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-12(18)21-14(10-19-7)11-20-13-8-15(2,3)17(6)16(4,5)9-13/h13-14H,8-11H2,1-7H3.
What are the key properties of [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate?
[1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate has a molecular weight of 301.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate is sourced from PubChem (CID 66868110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).