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

C36H73N3O5 — CID 162185733

IUPAC1-(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
SMILESCC(=O)CON1C(C)(C)CCCC1(C)C.CC(O)CON1C(C)(C)CCCC1(C)C.CCCON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C12H25NO2.C12H23NO2.C12H25NO/c2*1-10(14)9-15-13-11(2,3)7-6-8-12(13,4)5;1-6-10-14-13-11(2,3)8-7-9-12(13,4)5/h10,14H,6-9H2,1-5H3;6-9H2,1-5H3;6-10H2,1-5H3
InChIKeyZPPZYGWQFZCUEA-UHFFFAOYSA-N
MW628.00 g/mol
LogP8.26
Rot. Bonds9

About 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

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 (PubChem CID 162185733) has the molecular formula C36H73N3O5 and a molecular weight of 628.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID162185733
Molecular FormulaC36H73N3O5
Molecular Weight628.00 g/mol
Exact Mass627.56
IUPAC Name1-(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
SMILESCC(=O)CON1C(C)(C)CCCC1(C)C.CC(O)CON1C(C)(C)CCCC1(C)C.CCCON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C12H25NO2.C12H23NO2.C12H25NO/c2*1-10(14)9-15-13-11(2,3)7-6-8-12(13,4)5;1-6-10-14-13-11(2,3)8-7-9-12(13,4)5/h10,14H,6-9H2,1-5H3;6-9H2,1-5H3;6-10H2,1-5H3
InChIKeyZPPZYGWQFZCUEA-UHFFFAOYSA-N
XLogP8.26
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.00
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

ethane;N-methyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetamide
CID 170609324
3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
CID 91549508
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
[4-methyl-2-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexyl] acetate
CID 59135514
propanoic acid;1-propoxypropan-2-ol
CID 87505048
2,2,6,6-tetramethyl-1-[(Z)-2-nitrotridec-2-enoxy]piperidine
CID 141435056
diethyl 2-[(1S,2S)-1-cyclopropyl-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropyl]propanedioate
CID 71480410
(2,2,6,6-tetramethylpiperidin-1-yl) N-hexylcarbamate
CID 141397797
(2S)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhexanal
CID 102135644
(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen carbonate
CID 22150807
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate
CID 141336457
3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 62707645

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CON1C(C)(C)CCCC1(C)C.CC(O)CON1C(C)(C)CCCC1(C)C.CCCON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 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?
The InChIKey is ZPPZYGWQFZCUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.C12H23NO2.C12H25NO/c2*1-10(14)9-15-13-11(2,3)7-6-8-12(13,4)5;1-6-10-14-13-11(2,3)8-7-9-12(13,4)5/h10,14H,6-9H2,1-5H3;6-9H2,1-5H3;6-10H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 628.00 g/mol, XLogP of 8.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162185733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).