(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol

C13H27NO4 — CID 139944892

IUPAC(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)COC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H27NO4/c1-12(2)6-11(7-13(3,4)14(12)16)18-9-10(15)8-17-5/h10-11,15-16H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyLWWWYUBIKPGGGT-SNVBAGLBSA-N
MW261.36 g/mol
LogP1.42
Rot. Bonds5

About (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol

(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol (PubChem CID 139944892) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
PubChem CID139944892
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)COC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H27NO4/c1-12(2)6-11(7-13(3,4)14(12)16)18-9-10(15)8-17-5/h10-11,15-16H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyLWWWYUBIKPGGGT-SNVBAGLBSA-N
XLogP1.42
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 68791470
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentane-2,4-diol
CID 156778673
[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium
CID 70161005
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
1-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 160526152
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
1-[2-(2-aminoethylamino)ethylamino]-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 23592606
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
1,2,2,4,6,6-hexamethylpiperidine;bis(1-hydroxy-2,2,4,6,6-pentamethylpiperidin-1-ium);1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)oxy-3-methoxypropan-2-ol;methane;1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-ol;bis(1,3,3,5,5-pentamethylcyclohexan-1-ol)
CID 162005543
4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 167075242
4-(ethoxymethoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 21020056

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol (CID 139944892) is (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol is COC[C@@H](O)COC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol?
The InChIKey is LWWWYUBIKPGGGT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H27NO4/c1-12(2)6-11(7-13(3,4)14(12)16)18-9-10(15)8-17-5/h10-11,15-16H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol?
(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol is sourced from PubChem (CID 139944892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).