1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

C21H35NO5 — CID 42564066

IUPAC1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCOc1ccc(OC)c(COC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1
InChIInChI=1S/C21H35NO5/c1-20(2)10-16(23)11-21(3,4)22(20)12-17(24)14-27-13-15-9-18(25-5)7-8-19(15)26-6/h7-9,16-17,23-24H,10-14H2,1-6H3/t17-/m1/s1
InChIKeyAYBGXBXUZIHJMM-QGZVFWFLSA-N
MW381.51 g/mol
LogP2.60
Rot. Bonds8

About 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 42564066) has the molecular formula C21H35NO5 and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID42564066
Molecular FormulaC21H35NO5
Molecular Weight381.51 g/mol
Exact Mass381.25
IUPAC Name1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCOc1ccc(OC)c(COC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1
InChIInChI=1S/C21H35NO5/c1-20(2)10-16(23)11-21(3,4)22(20)12-17(24)14-27-13-15-9-18(25-5)7-8-19(15)26-6/h7-9,16-17,23-24H,10-14H2,1-6H3/t17-/m1/s1
InChIKeyAYBGXBXUZIHJMM-QGZVFWFLSA-N
XLogP2.60
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol with MolForge

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Related Compounds

(2S)-1-(azepan-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588345
(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 98446984
(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 42588329
(2R)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588358
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588343
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 3412062
1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 975912
1-[3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 2947424
1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 1304237
4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 170441726
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 42564066) is 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is COc1ccc(OC)c(COC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1.
What is the InChIKey of 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is AYBGXBXUZIHJMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H35NO5/c1-20(2)10-16(23)11-21(3,4)22(20)12-17(24)14-27-13-15-9-18(25-5)7-8-19(15)26-6/h7-9,16-17,23-24H,10-14H2,1-6H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 381.51 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 42564066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).