1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one

C11H21NO2 — CID 62677876

IUPAC1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC(O)C1
InChIInChI=1S/C11H21NO2/c1-4-11(2,3)10(14)12-7-5-6-9(13)8-12/h9,13H,4-8H2,1-3H3
InChIKeyLCYVZHXHSMXPTF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds2

About 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one

1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one (PubChem CID 62677876) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
PubChem CID62677876
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC(O)C1
InChIInChI=1S/C11H21NO2/c1-4-11(2,3)10(14)12-7-5-6-9(13)8-12/h9,13H,4-8H2,1-3H3
InChIKeyLCYVZHXHSMXPTF-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
2-fluoro-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 126972948
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
2,2-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 62679191
N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
CID 114292730
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454
2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one
CID 127012089
2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 44616106
1-[3-(bromomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 80666826
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one (CID 62677876) is 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one?
The InChIKey is LCYVZHXHSMXPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(2,3)10(14)12-7-5-6-9(13)8-12/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one?
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 62677876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).