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

C11H21NO2 — CID 107224947

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
SMILESCC(C)C(C)C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H21NO2/c1-8(2)9(3)11(14)12-6-4-5-10(13)7-12/h8-10,13H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyAJBJZSBPPXADDP-AXDSSHIGSA-N
MW199.29 g/mol
LogP1.26
Rot. Bonds2

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

1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one (PubChem CID 107224947) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
PubChem CID107224947
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
SMILESCC(C)C(C)C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H21NO2/c1-8(2)9(3)11(14)12-6-4-5-10(13)7-12/h8-10,13H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyAJBJZSBPPXADDP-AXDSSHIGSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488190
1-(aziridin-1-yl)-2,3-dimethylbutan-1-one
CID 126991389
1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 107224856
2-bromo-1-[(3S)-3-hydroxypiperidin-1-yl]butan-1-one
CID 107216836
2-bromo-1-(3-hydroxypiperidin-1-yl)butan-1-one
CID 62854840
2-(2,6-dimethylmorpholin-4-yl)-1-(3-hydroxypiperidin-1-yl)-3-methylbutan-1-one
CID 110908158
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one (CID 107224947) is 1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one is CC(C)C(C)C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one?
The InChIKey is AJBJZSBPPXADDP-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)9(3)11(14)12-6-4-5-10(13)7-12/h8-10,13H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one?
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.26, 2 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]-2,3-dimethylbutan-1-one is sourced from PubChem (CID 107224947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).