3-hydroxy-1-(3-methylbutyl)piperidin-2-one

C10H19NO2 — CID 117014091

IUPAC3-hydroxy-1-(3-methylbutyl)piperidin-2-one
SMILESCC(C)CCN1CCCC(O)C1=O
InChIInChI=1S/C10H19NO2/c1-8(2)5-7-11-6-3-4-9(12)10(11)13/h8-9,12H,3-7H2,1-2H3
InChIKeyZMYYDZBPBWZEFS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds3

About 3-hydroxy-1-(3-methylbutyl)piperidin-2-one

3-hydroxy-1-(3-methylbutyl)piperidin-2-one (PubChem CID 117014091) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-hydroxy-1-(3-methylbutyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-methylbutyl)piperidin-2-one
PubChem CID117014091
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-hydroxy-1-(3-methylbutyl)piperidin-2-one
SMILESCC(C)CCN1CCCC(O)C1=O
InChIInChI=1S/C10H19NO2/c1-8(2)5-7-11-6-3-4-9(12)10(11)13/h8-9,12H,3-7H2,1-2H3
InChIKeyZMYYDZBPBWZEFS-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-enyl-3-hydroxypiperidin-2-one
CID 130131103
(3R)-1-but-3-enyl-3-hydroxypiperidin-2-one
CID 162859872
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one
CID 117008575
1-methyl-3-propan-2-ylpiperidin-2-one
CID 58763606
2-[2-[2-[(3S)-3-hydroxy-2-oxopiperidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516887
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
1-(4-hydroxypentyl)-3-(methylamino)piperidin-2-one
CID 106137678
methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one
CID 158640398
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
4-amino-1-(3-methylbutyl)piperidin-2-one
CID 83636424
3-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
CID 91925897

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-methylbutyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(3-methylbutyl)piperidin-2-one (CID 117014091) is 3-hydroxy-1-(3-methylbutyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(3-methylbutyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(3-methylbutyl)piperidin-2-one is CC(C)CCN1CCCC(O)C1=O.
What is the InChIKey of 3-hydroxy-1-(3-methylbutyl)piperidin-2-one?
The InChIKey is ZMYYDZBPBWZEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)5-7-11-6-3-4-9(12)10(11)13/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-hydroxy-1-(3-methylbutyl)piperidin-2-one?
3-hydroxy-1-(3-methylbutyl)piperidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-methylbutyl)piperidin-2-one is sourced from PubChem (CID 117014091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).