3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one

C11H21NO — CID 58834330

IUPAC3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one
SMILESCC(=O)C(C)(C)C1CCCCN1C
InChIInChI=1S/C11H21NO/c1-9(13)11(2,3)10-7-5-6-8-12(10)4/h10H,5-8H2,1-4H3
InChIKeyUTPJXCSUZKYBEO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds2

About 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one

3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one (PubChem CID 58834330) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one
PubChem CID58834330
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one
SMILESCC(=O)C(C)(C)C1CCCCN1C
InChIInChI=1S/C11H21NO/c1-9(13)11(2,3)10-7-5-6-8-12(10)4/h10H,5-8H2,1-4H3
InChIKeyUTPJXCSUZKYBEO-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(2R)-1-methylpiperidin-2-yl]propanoic acid
CID 66887633
2-methyl-2-[(2S)-1-methylpiperidin-2-yl]propanoic acid
CID 66889115
3-cyclohexyl-3-methylbutan-2-one
CID 20782049
1-methyl-2-(2-methylpentan-2-yl)piperidine
CID 57185031
2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate
CID 71300421
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
CID 156743098
(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
CID 160589871
(2S)-1-methyl-2-(2-methylbutan-2-yl)pyrrolidine
CID 166767172
N-methyl-2-(1-methylpyrrolidin-2-yl)propan-2-amine
CID 84650456
2-bromo-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82110102
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one?
The IUPAC name of 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one (CID 58834330) is 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one.
What is the SMILES notation for 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one?
The canonical SMILES for 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one is CC(=O)C(C)(C)C1CCCCN1C.
What is the InChIKey of 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one?
The InChIKey is UTPJXCSUZKYBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)11(2,3)10-7-5-6-8-12(10)4/h10H,5-8H2,1-4H3.
What are the key properties of 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one?
3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one is sourced from PubChem (CID 58834330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).