1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol

C11H23NO2 — CID 115919280

IUPAC1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol
SMILESCCC(O)(CC)CN1CCCC(O)C1
InChIInChI=1S/C11H23NO2/c1-3-11(14,4-2)9-12-7-5-6-10(13)8-12/h10,13-14H,3-9H2,1-2H3
InChIKeySSZMEJQGFMKISW-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.99
Rot. Bonds4

About 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol

1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol (PubChem CID 115919280) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol
PubChem CID115919280
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol
SMILESCCC(O)(CC)CN1CCCC(O)C1
InChIInChI=1S/C11H23NO2/c1-3-11(14,4-2)9-12-7-5-6-10(13)8-12/h10,13-14H,3-9H2,1-2H3
InChIKeySSZMEJQGFMKISW-UHFFFAOYSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol (CID 115919280) is 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol is CCC(O)(CC)CN1CCCC(O)C1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol?
The InChIKey is SSZMEJQGFMKISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-11(14,4-2)9-12-7-5-6-10(13)8-12/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol?
1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol is sourced from PubChem (CID 115919280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).