1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone

C11H21NO2 — CID 63844987

IUPAC1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC(C)(C)O
InChIInChI=1S/C11H21NO2/c1-9(13)10-6-4-5-7-12(10)8-11(2,3)14/h10,14H,4-8H2,1-3H3
InChIKeyFTHAIFOLIMXREK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.20
Rot. Bonds3

About 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone

1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone (PubChem CID 63844987) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
PubChem CID63844987
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC(C)(C)O
InChIInChI=1S/C11H21NO2/c1-9(13)10-6-4-5-7-12(10)8-11(2,3)14/h10,14H,4-8H2,1-3H3
InChIKeyFTHAIFOLIMXREK-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79624509
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895
tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
CID 115537592
1-[1-(2-hydroxy-2-methylpropyl)azepan-2-yl]propan-2-one
CID 79560522
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
CID 63844463
1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone
CID 115513976
1-[1-(2-methylbutyl)piperidin-2-yl]ethanone
CID 63846542
1-(3-hydroxy-3-methylbutyl)azepane-2-carboxylic acid
CID 79354871

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone (CID 63844987) is 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CC(C)(C)O.
What is the InChIKey of 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone?
The InChIKey is FTHAIFOLIMXREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(13)10-6-4-5-7-12(10)8-11(2,3)14/h10,14H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone?
1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone has a molecular weight of 199.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63844987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).