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

C9H17NO2 — CID 83816285

IUPAC1-(2-hydroxy-2-methylpropyl)piperidin-2-one
SMILESCC(C)(O)CN1CCCCC1=O
InChIInChI=1S/C9H17NO2/c1-9(2,12)7-10-6-4-3-5-8(10)11/h12H,3-7H2,1-2H3
InChIKeyMOKULPDJPLNJAI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds2

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

1-(2-hydroxy-2-methylpropyl)piperidin-2-one (PubChem CID 83816285) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)piperidin-2-one
PubChem CID83816285
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(2-hydroxy-2-methylpropyl)piperidin-2-one
SMILESCC(C)(O)CN1CCCCC1=O
InChIInChI=1S/C9H17NO2/c1-9(2,12)7-10-6-4-3-5-8(10)11/h12H,3-7H2,1-2H3
InChIKeyMOKULPDJPLNJAI-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2-methylbutyl)piperidin-2-one
CID 104549829
1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]piperidin-2-one
CID 111496581
1-(3-carbazol-9-yl-2-hydroxy-2-methylpropyl)piperidin-2-one
CID 118415592
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641
1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one
CID 83817589
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
1-(2,2-dimethylhexyl)pyrrolidin-2-one
CID 129135840
1-prop-2-ynylazocan-2-one
CID 61344680
1-[2-(tert-butylamino)ethyl]azepan-2-one
CID 61387620
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-(chloromethyl)azonan-2-one
CID 23348579

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)piperidin-2-one?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)piperidin-2-one (CID 83816285) is 1-(2-hydroxy-2-methylpropyl)piperidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)piperidin-2-one?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)piperidin-2-one is CC(C)(O)CN1CCCCC1=O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)piperidin-2-one?
The InChIKey is MOKULPDJPLNJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,12)7-10-6-4-3-5-8(10)11/h12H,3-7H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)piperidin-2-one?
1-(2-hydroxy-2-methylpropyl)piperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 83816285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).