2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one

C9H18N2O2 — CID 61264597

IUPAC2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,10)8(13)11-5-3-4-7(12)6-11/h7,12H,3-6,10H2,1-2H3
InChIKeyVQWIJYCDHWHNRQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.29
Rot. Bonds1

About 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one

2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 61264597) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID61264597
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCCC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,10)8(13)11-5-3-4-7(12)6-11/h7,12H,3-6,10H2,1-2H3
InChIKeyVQWIJYCDHWHNRQ-UHFFFAOYSA-N
XLogP-0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
2-fluoro-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 126972948
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
2-amino-2-cyclopropyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62942113
N'-hydroxy-2-(3-hydroxypiperidine-1-carbonyl)-2-methylbutanimidamide
CID 114292730
1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one (CID 61264597) is 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCCC(O)C1.
What is the InChIKey of 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is VQWIJYCDHWHNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,10)8(13)11-5-3-4-7(12)6-11/h7,12H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one?
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 61264597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).