3-ethyl-1-(2-hydroxybutyl)piperidin-4-one

C11H21NO2 — CID 114508808

IUPAC3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
SMILESCCC(O)CN1CCC(=O)C(CC)C1
InChIInChI=1S/C11H21NO2/c1-3-9-7-12(6-5-11(9)14)8-10(13)4-2/h9-10,13H,3-8H2,1-2H3
InChIKeyNKVMOJMTARJKBX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.06
Rot. Bonds4

About 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one

3-ethyl-1-(2-hydroxybutyl)piperidin-4-one (PubChem CID 114508808) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
PubChem CID114508808
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
SMILESCCC(O)CN1CCC(=O)C(CC)C1
InChIInChI=1S/C11H21NO2/c1-3-9-7-12(6-5-11(9)14)8-10(13)4-2/h9-10,13H,3-8H2,1-2H3
InChIKeyNKVMOJMTARJKBX-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one
CID 114509037
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
2-(3-ethyl-4-oxopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 114509023
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
1-(2,3-dihydroxypropyl)-3-methylpiperidin-4-one
CID 114500290
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
CID 114508829
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
N-cyclopentyl-2-(3-ethyl-4-oxopiperidin-1-yl)acetamide
CID 114508966

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one (CID 114508808) is 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one is CCC(O)CN1CCC(=O)C(CC)C1.
What is the InChIKey of 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one?
The InChIKey is NKVMOJMTARJKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9-7-12(6-5-11(9)14)8-10(13)4-2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one?
3-ethyl-1-(2-hydroxybutyl)piperidin-4-one has a molecular weight of 199.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxybutyl)piperidin-4-one is sourced from PubChem (CID 114508808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).