1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one

C10H19NO2 — CID 107224185

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyNNDFRPIJQVDRJR-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds

About 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one

1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 107224185) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID107224185
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyNNDFRPIJQVDRJR-QMMMGPOBSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

Analyze 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-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

2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
2-fluoro-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 126972948
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 93040618
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
CID 114292730
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one (CID 107224185) is 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is NNDFRPIJQVDRJR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 107224185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).