1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one

C12H23NO2 — CID 115874379

IUPAC1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C12H23NO2/c1-11(2,3)8-10(14)13-7-5-6-12(4,15)9-13/h15H,5-9H2,1-4H3
InChIKeyAPMPTXPSYHSRNG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.80
Rot. Bonds1

About 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one

1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 115874379) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID115874379
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C12H23NO2/c1-11(2,3)8-10(14)13-7-5-6-12(4,15)9-13/h15H,5-9H2,1-4H3
InChIKeyAPMPTXPSYHSRNG-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
N-tert-butyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872033
N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 115874792
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 115875098
2-(aminomethyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 107472778
4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300164
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 113344037
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
3-hydroxy-N,3-dimethylpiperidine-1-carboxamide
CID 115872031
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-3,3-dimethylbutan-1-one
CID 168726992
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 115874379) is 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCCC(C)(O)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is APMPTXPSYHSRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)8-10(14)13-7-5-6-12(4,15)9-13/h15H,5-9H2,1-4H3.
What are the key properties of 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 115874379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).