3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol

C12H25NO2 — CID 129311438

IUPAC3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol
SMILESCCOC(C)(C)C(O)CN1CCCCC1
InChIInChI=1S/C12H25NO2/c1-4-15-12(2,3)11(14)10-13-8-6-5-7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyAYHKXDJZZCIYEL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds5

About 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol

3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol (PubChem CID 129311438) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol
PubChem CID129311438
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol
SMILESCCOC(C)(C)C(O)CN1CCCCC1
InChIInChI=1S/C12H25NO2/c1-4-15-12(2,3)11(14)10-13-8-6-5-7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyAYHKXDJZZCIYEL-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(azepan-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol
CID 35581687
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901840
1-(azonan-1-yl)butan-2-ol
CID 130671766
(2R)-1-(azepan-1-yl)-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropan-2-ol
CID 42589284
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol
CID 114228753
2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237190
1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol
CID 117237179
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815
2-ethoxy-2,5-dimethylheptan-3-ol
CID 116713772
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
2-ethoxy-3-piperidin-1-ylpropanoic acid
CID 63068223

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol?
The IUPAC name of 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol (CID 129311438) is 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol is CCOC(C)(C)C(O)CN1CCCCC1.
What is the InChIKey of 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol?
The InChIKey is AYHKXDJZZCIYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-15-12(2,3)11(14)10-13-8-6-5-7-9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol?
3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-1-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 129311438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).