1-(2-hydroxy-2-methylbutyl)piperidin-2-one

C10H19NO2 — CID 104549829

IUPAC1-(2-hydroxy-2-methylbutyl)piperidin-2-one
SMILESCCC(C)(O)CN1CCCCC1=O
InChIInChI=1S/C10H19NO2/c1-3-10(2,13)8-11-7-5-4-6-9(11)12/h13H,3-8H2,1-2H3
InChIKeyRFJZBOVBACZAQN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds3

About 1-(2-hydroxy-2-methylbutyl)piperidin-2-one

1-(2-hydroxy-2-methylbutyl)piperidin-2-one (PubChem CID 104549829) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylbutyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylbutyl)piperidin-2-one
PubChem CID104549829
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-hydroxy-2-methylbutyl)piperidin-2-one
SMILESCCC(C)(O)CN1CCCCC1=O
InChIInChI=1S/C10H19NO2/c1-3-10(2,13)8-11-7-5-4-6-9(11)12/h13H,3-8H2,1-2H3
InChIKeyRFJZBOVBACZAQN-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
1-(3-carbazol-9-yl-2-hydroxy-2-methylpropyl)piperidin-2-one
CID 118415592
1-(2,2-dimethylhexyl)pyrrolidin-2-one
CID 129135840
1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]piperidin-2-one
CID 111496581
3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one
CID 65112678
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
1,3,5-tris(2-hydroxy-2-methylbutyl)-1,3,5-triazinane-2,4,6-trione
CID 163733491

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylbutyl)piperidin-2-one?
The IUPAC name of 1-(2-hydroxy-2-methylbutyl)piperidin-2-one (CID 104549829) is 1-(2-hydroxy-2-methylbutyl)piperidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-methylbutyl)piperidin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-methylbutyl)piperidin-2-one is CCC(C)(O)CN1CCCCC1=O.
What is the InChIKey of 1-(2-hydroxy-2-methylbutyl)piperidin-2-one?
The InChIKey is RFJZBOVBACZAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-10(2,13)8-11-7-5-4-6-9(11)12/h13H,3-8H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methylbutyl)piperidin-2-one?
1-(2-hydroxy-2-methylbutyl)piperidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylbutyl)piperidin-2-one is sourced from PubChem (CID 104549829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).