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

C9H17NO2 — CID 117013871

IUPAC5-hydroxy-1-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CN1CC(O)CCC1=O
InChIInChI=1S/C9H17NO2/c1-7(2)5-10-6-8(11)3-4-9(10)12/h7-8,11H,3-6H2,1-2H3
InChIKeyWOCJYGLPYMYGLO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.63
Rot. Bonds2

About 5-hydroxy-1-(2-methylpropyl)piperidin-2-one

5-hydroxy-1-(2-methylpropyl)piperidin-2-one (PubChem CID 117013871) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-hydroxy-1-(2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(2-methylpropyl)piperidin-2-one
PubChem CID117013871
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-hydroxy-1-(2-methylpropyl)piperidin-2-one
SMILESCC(C)CN1CC(O)CCC1=O
InChIInChI=1S/C9H17NO2/c1-7(2)5-10-6-8(11)3-4-9(10)12/h7-8,11H,3-6H2,1-2H3
InChIKeyWOCJYGLPYMYGLO-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxy-1-methylpiperidin-2-one
CID 58763646
4-(Hydroxymethyl)-1-methylpiperidin-2-one
CID 22030674
Pentanamide, N,N-dibutyl-5-(dibutylamino)-4-hydroxy-, monohydrochloride
CID 3049995
N,N-Dibutyl-5-(dipropylamino)-4-hydroxypentanamide--hydrogen chloride (1/1)
CID 3049997
Morpholine, 4-(5-(dipropylamino)-4-hydroxy-2-methyl-1-oxopentyl)-, monohydrochloride
CID 3049999
4-Hydroxy-5-(piperidin-1-yl)-N,N-dipropylpentanamide--hydrogen chloride (1/1)
CID 3050001
N,N-Diethyl-4-hydroxy-5-(morpholin-4-yl)pentanamide--hydrogen chloride (1/1)
CID 3050005
4-Morpholinepentanamide, N,N-dibutyl-gamma-hydroxy-, monohydrochloride
CID 3050007
3-Hydroxy-1-methylpiperidin-2-one
CID 14456894
1-Cyclopentyl-5-hydroxypiperidin-2-one
CID 117013873
1-[(2S)-2-hydroxypropyl]piperidin-2-one
CID 121598028
Hydroxybutyl piperidone
CID 43509858

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-methylpropyl)piperidin-2-one?
The IUPAC name of 5-hydroxy-1-(2-methylpropyl)piperidin-2-one (CID 117013871) is 5-hydroxy-1-(2-methylpropyl)piperidin-2-one.
What is the SMILES notation for 5-hydroxy-1-(2-methylpropyl)piperidin-2-one?
The canonical SMILES for 5-hydroxy-1-(2-methylpropyl)piperidin-2-one is CC(C)CN1CC(O)CCC1=O.
What is the InChIKey of 5-hydroxy-1-(2-methylpropyl)piperidin-2-one?
The InChIKey is WOCJYGLPYMYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)5-10-6-8(11)3-4-9(10)12/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-hydroxy-1-(2-methylpropyl)piperidin-2-one?
5-hydroxy-1-(2-methylpropyl)piperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 117013871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).