1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol

C17H29NO2S — CID 3065855

IUPAC1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
SMILESCc1ccsc1OCC(O)CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C17H29NO2S/c1-13-7-10-21-15(13)20-12-14(19)11-18-16(2,3)8-6-9-17(18,4)5/h7,10,14,19H,6,8-9,11-12H2,1-5H3
InChIKeyNDYRVOUSCNTGOX-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol

1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol (PubChem CID 3065855) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
PubChem CID3065855
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC Name1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
SMILESCc1ccsc1OCC(O)CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C17H29NO2S/c1-13-7-10-21-15(13)20-12-14(19)11-18-16(2,3)8-6-9-17(18,4)5/h7,10,14,19H,6,8-9,11-12H2,1-5H3
InChIKeyNDYRVOUSCNTGOX-UHFFFAOYSA-N
XLogP3.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol with MolForge

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Related Compounds

1-(3-methylthiophen-2-yl)oxy-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol
CID 3065887
1-(4-methoxythiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 3065858
hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride
CID 91980777
1-(2,2,6,6-tetramethylpiperidin-1-yl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807376
(2S)-1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
CID 42587992
1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 975912
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 3412062
2-(3-methylthiophen-2-yl)oxyethanamine
CID 67617021
1-[3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 2947424
[1-phenoxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-yl] acetate
CID 57020685
1-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 1304237
2-(2,2-dimethylpyrrolidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 63216264

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol (CID 3065855) is 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol is Cc1ccsc1OCC(O)CN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The InChIKey is NDYRVOUSCNTGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-13-7-10-21-15(13)20-12-14(19)11-18-16(2,3)8-6-9-17(18,4)5/h7,10,14,19H,6,8-9,11-12H2,1-5H3.
What are the key properties of 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol has a molecular weight of 311.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 3065855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).