1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

C18H28BrNO3 — CID 1304237

IUPAC1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1C[C@H](O)COc1ccccc1Br
InChIInChI=1S/C18H28BrNO3/c1-17(2)9-13(21)10-18(3,4)20(17)11-14(22)12-23-16-8-6-5-7-15(16)19/h5-8,13-14,21-22H,9-12H2,1-4H3/t14-/m0/s1
InChIKeyLTXJXWCHJOTTMR-AWEZNQCLSA-N
MW386.33 g/mol
LogP3.20
Rot. Bonds5

About 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 1304237) has the molecular formula C18H28BrNO3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID1304237
Molecular FormulaC18H28BrNO3
Molecular Weight386.33 g/mol
Exact Mass385.13
IUPAC Name1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1C[C@H](O)COc1ccccc1Br
InChIInChI=1S/C18H28BrNO3/c1-17(2)9-13(21)10-18(3,4)20(17)11-14(22)12-23-16-8-6-5-7-15(16)19/h5-8,13-14,21-22H,9-12H2,1-4H3/t14-/m0/s1
InChIKeyLTXJXWCHJOTTMR-AWEZNQCLSA-N
XLogP3.20
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol with MolForge

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Related Compounds

1-[3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 2947424
1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 975912
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride
CID 91980777
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 3412062
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
(2S)-1-(2-bromophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7073872
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
1-(2-bromophenoxy)-4-methoxybutan-2-ol
CID 117236731

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 1304237) is 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1C[C@H](O)COc1ccccc1Br.
What is the InChIKey of 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is LTXJXWCHJOTTMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28BrNO3/c1-17(2)9-13(21)10-18(3,4)20(17)11-14(22)12-23-16-8-6-5-7-15(16)19/h5-8,13-14,21-22H,9-12H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 386.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 1304237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).