4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one

C10H19NO2 — CID 126987742

IUPAC4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CC[C@H](O)C[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-8-7-10(13)4-6-11(8)5-3-9(2)12/h8,10,13H,3-7H2,1-2H3/t8-,10-/m0/s1
InChIKeyXXXQWCXYGBOZPE-WPRPVWTQSA-N
MW185.27 g/mol
LogP0.81
Rot. Bonds3

About 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one

4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one (PubChem CID 126987742) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one
PubChem CID126987742
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CC[C@H](O)C[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-8-7-10(13)4-6-11(8)5-3-9(2)12/h8,10,13H,3-7H2,1-2H3/t8-,10-/m0/s1
InChIKeyXXXQWCXYGBOZPE-WPRPVWTQSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-2-methylpiperidin-4-ol
CID 119028950
2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile
CID 126990859
1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302701
(2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol
CID 131020094
1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol
CID 155302648
1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol
CID 155302788
3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanethioamide
CID 130863708
4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one
CID 114229025
benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate
CID 167142775
1-[2-(3-chloro-2-fluorophenyl)ethyl]-2-methylpiperidin-4-ol
CID 155302706
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
N-(3-aminopropyl)-3-(2,4-dimethylpiperidin-1-yl)-N-methylpropanamide
CID 62329775

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one?
The IUPAC name of 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one (CID 126987742) is 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one.
What is the SMILES notation for 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one?
The canonical SMILES for 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one is CC(=O)CCN1CC[C@H](O)C[C@@H]1C.
What is the InChIKey of 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one?
The InChIKey is XXXQWCXYGBOZPE-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-7-10(13)4-6-11(8)5-3-9(2)12/h8,10,13H,3-7H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one?
4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one is sourced from PubChem (CID 126987742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).