6,6-dimethyl-3-propan-2-ylpiperidin-2-one

C10H19NO — CID 157148346

IUPAC6,6-dimethyl-3-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCC(C)(C)NC1=O
InChIInChI=1S/C10H19NO/c1-7(2)8-5-6-10(3,4)11-9(8)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyDPRFMKSILHPUSV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds1

About 6,6-dimethyl-3-propan-2-ylpiperidin-2-one

6,6-dimethyl-3-propan-2-ylpiperidin-2-one (PubChem CID 157148346) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6,6-dimethyl-3-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name6,6-dimethyl-3-propan-2-ylpiperidin-2-one
PubChem CID157148346
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6,6-dimethyl-3-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCC(C)(C)NC1=O
InChIInChI=1S/C10H19NO/c1-7(2)8-5-6-10(3,4)11-9(8)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyDPRFMKSILHPUSV-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
methyl (2S)-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-2-methylpropanoate
CID 167608778
3-hydroxy-3-methyl-6-propan-2-ylcyclohexane-1,2-dione
CID 12972800
(1S,3R,6R)-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
CID 98079466
trans-(2S,5S)-5-methyl-2-propan-2-yl-5-sulfanylcyclohexan-1-one
CID 71587112
(3R)-3-[4-[(5S)-2-methyl-6-oxo-5-propan-2-ylpiperidin-2-yl]butan-2-yl]-1,3-dihydroindol-2-one
CID 167076799
(2R)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 71426371
trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 130909824
(3S)-7,7-dimethyl-3-(methylideneamino)azepan-2-one
CID 59118695
(2S)-2-[(E)-but-2-enyl]-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 45098750
tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
CID 166816959
[(1R,4R)-1-methyl-3-oxo-4-propan-2-ylcyclohexyl] acetate
CID 162873975

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propan-2-ylpiperidin-2-one?
The IUPAC name of 6,6-dimethyl-3-propan-2-ylpiperidin-2-one (CID 157148346) is 6,6-dimethyl-3-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 6,6-dimethyl-3-propan-2-ylpiperidin-2-one?
The canonical SMILES for 6,6-dimethyl-3-propan-2-ylpiperidin-2-one is CC(C)C1CCC(C)(C)NC1=O.
What is the InChIKey of 6,6-dimethyl-3-propan-2-ylpiperidin-2-one?
The InChIKey is DPRFMKSILHPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)8-5-6-10(3,4)11-9(8)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 6,6-dimethyl-3-propan-2-ylpiperidin-2-one?
6,6-dimethyl-3-propan-2-ylpiperidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 157148346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).