1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one

C11H21NO2 — CID 123632787

IUPAC1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one
SMILESCCC1CC(=O)N(CC)C(C)(C)C1O
InChIInChI=1S/C11H21NO2/c1-5-8-7-9(13)12(6-2)11(3,4)10(8)14/h8,10,14H,5-7H2,1-4H3
InChIKeyIFFHUJQWKXVBNC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.40
Rot. Bonds2

About 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one

1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one (PubChem CID 123632787) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one
PubChem CID123632787
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one
SMILESCCC1CC(=O)N(CC)C(C)(C)C1O
InChIInChI=1S/C11H21NO2/c1-5-8-7-9(13)12(6-2)11(3,4)10(8)14/h8,10,14H,5-7H2,1-4H3
InChIKeyIFFHUJQWKXVBNC-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopentanecarbonylpiperidin-3-ol
CID 43415677
1-(3-Hydroxypiperidin-1-yl)-4-methylpentan-1-one
CID 17918017
3-(Hydroxymethyl)-5-methyl-1-morpholin-4-ylhexan-1-one
CID 54145273
(5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one
CID 59961754
1-(2-Hydroxybutyl)-3-methylpiperidin-2-one
CID 104680249
5-Hydroxy-1-(2-methylpropyl)piperidin-2-one
CID 117013871
(4R)-1-tert-butyl-4-(hydroxymethyl)piperidin-2-one
CID 118581531
(4S)-1-tert-butyl-4-(hydroxymethyl)piperidin-2-one
CID 118581534
1-(3-Ethyl-4-methylpiperidin-1-yl)-2-hydroxypentan-1-one
CID 123812456
1-[4-(1-Hydroxy-2-methylpropyl)piperidin-1-yl]-3-methylbutan-1-one
CID 132061513
1-[(3S)-2-hydroxypentan-3-yl]-3-methylpiperidin-2-one
CID 144292557
(2S)-1-[(3S,4R)-3-ethyl-4-methylpiperidin-1-yl]-2-hydroxypentan-1-one
CID 144443637

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one?
The IUPAC name of 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one (CID 123632787) is 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one.
What is the SMILES notation for 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one?
The canonical SMILES for 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one is CCC1CC(=O)N(CC)C(C)(C)C1O.
What is the InChIKey of 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one?
The InChIKey is IFFHUJQWKXVBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-8-7-9(13)12(6-2)11(3,4)10(8)14/h8,10,14H,5-7H2,1-4H3.
What are the key properties of 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one?
1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one is sourced from PubChem (CID 123632787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).