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

C11H21NO2 — CID 114497694

IUPAC3-(2-ethyl-2-hydroxybutyl)piperidin-2-one
SMILESCCC(O)(CC)CC1CCCNC1=O
InChIInChI=1S/C11H21NO2/c1-3-11(14,4-2)8-9-6-5-7-12-10(9)13/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyDJHXMKDNPQBZQM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds4

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

3-(2-ethyl-2-hydroxybutyl)piperidin-2-one (PubChem CID 114497694) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-ethyl-2-hydroxybutyl)piperidin-2-one
PubChem CID114497694
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(2-ethyl-2-hydroxybutyl)piperidin-2-one
SMILESCCC(O)(CC)CC1CCCNC1=O
InChIInChI=1S/C11H21NO2/c1-3-11(14,4-2)8-9-6-5-7-12-10(9)13/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyDJHXMKDNPQBZQM-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
CID 114493018
3,3-dimethylbutan-2-one;3-(2,2-dimethylpropyl)piperidin-2-one;3-(2,2-dimethylpropyl)pyrrolidin-2-one
CID 162064096
3-[(2-ethyl-2-hydroxybutyl)amino]azepan-2-one
CID 65111880
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
3-dodecylpiperidin-2-one
CID 67992079
3-but-2-ynylpiperidin-2-one
CID 104679069
cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one
CID 165353092
3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
CID 165460765
ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
CID 169257069
(3R)-3-(2-imino-3-methylbut-3-enyl)piperidin-2-one;propane
CID 178160170

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one?
The IUPAC name of 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one (CID 114497694) is 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one.
What is the SMILES notation for 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one?
The canonical SMILES for 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one is CCC(O)(CC)CC1CCCNC1=O.
What is the InChIKey of 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one?
The InChIKey is DJHXMKDNPQBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(14,4-2)8-9-6-5-7-12-10(9)13/h9,14H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one?
3-(2-ethyl-2-hydroxybutyl)piperidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-2-hydroxybutyl)piperidin-2-one is sourced from PubChem (CID 114497694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).