2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine

C15H31NO2 — CID 91027819

IUPAC2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine
SMILESCCC1(C)CC(OC(C)C(C)C)CC(C)(C)N1O
InChIInChI=1S/C15H31NO2/c1-8-15(7)10-13(18-12(4)11(2)3)9-14(5,6)16(15)17/h11-13,17H,8-10H2,1-7H3
InChIKeyQDQGMTKGEDIHEJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.85
Rot. Bonds4

About 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine

2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine (PubChem CID 91027819) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine.

Molecular Properties

Compound Name2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine
PubChem CID91027819
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine
SMILESCCC1(C)CC(OC(C)C(C)C)CC(C)(C)N1O
InChIInChI=1S/C15H31NO2/c1-8-15(7)10-13(18-12(4)11(2)3)9-14(5,6)16(15)17/h11-13,17H,8-10H2,1-7H3
InChIKeyQDQGMTKGEDIHEJ-UHFFFAOYSA-N
XLogP3.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
(2-ethyl-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) furan-2-carboxylate
CID 142832127
1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
CID 175254715
CID 58670470
CID 58670470
acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
CID 175254714
4-(ethoxymethoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 21020056
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentane-2,4-diol
CID 156778673
7-(2-ethoxyethyl)-2-(3-methylbutan-2-yloxy)-7-azaspiro[3.5]nonane
CID 167292429
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 149204279
2-ethyl-1-hydroxy-2,3,6,6-tetramethylpiperidin-4-ol
CID 143807942
(2,6-diethyl-1-hydroxy-2,3,6-trimethylpiperidin-4-yl) formate
CID 91405439

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine?
The IUPAC name of 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine (CID 91027819) is 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine.
What is the SMILES notation for 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine?
The canonical SMILES for 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine is CCC1(C)CC(OC(C)C(C)C)CC(C)(C)N1O.
What is the InChIKey of 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine?
The InChIKey is QDQGMTKGEDIHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-8-15(7)10-13(18-12(4)11(2)3)9-14(5,6)16(15)17/h11-13,17H,8-10H2,1-7H3.
What are the key properties of 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine?
2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine has a molecular weight of 257.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine is sourced from PubChem (CID 91027819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).