3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one

C12H23NO2 — CID 114508829

IUPAC3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
SMILESCCC1CN(CCC(C)(C)O)CCC1=O
InChIInChI=1S/C12H23NO2/c1-4-10-9-13(7-5-11(10)14)8-6-12(2,3)15/h10,15H,4-9H2,1-3H3
InChIKeyNVBGYJZOUUIKMR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds4

About 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one

3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one (PubChem CID 114508829) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
PubChem CID114508829
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
SMILESCCC1CN(CCC(C)(C)O)CCC1=O
InChIInChI=1S/C12H23NO2/c1-4-10-9-13(7-5-11(10)14)8-6-12(2,3)15/h10,15H,4-9H2,1-3H3
InChIKeyNVBGYJZOUUIKMR-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 114509649
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
CID 114508808
3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
CID 114508953
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842
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-(2-oxopentyl)piperidin-4-one
CID 114509766
3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one
CID 114508865
3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one
CID 114508732

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one (CID 114508829) is 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one is CCC1CN(CCC(C)(C)O)CCC1=O.
What is the InChIKey of 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one?
The InChIKey is NVBGYJZOUUIKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10-9-13(7-5-11(10)14)8-6-12(2,3)15/h10,15H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one?
3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one has a molecular weight of 213.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one is sourced from PubChem (CID 114508829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).