2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one

C12H23NO — CID 130729788

IUPAC2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one
SMILESCC(C)C(C)C(=O)C1(C)CCCNC1
InChIInChI=1S/C12H23NO/c1-9(2)10(3)11(14)12(4)6-5-7-13-8-12/h9-10,13H,5-8H2,1-4H3
InChIKeyWVTPPSWGLVUFQG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds3

About 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one

2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one (PubChem CID 130729788) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one
PubChem CID130729788
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one
SMILESCC(C)C(C)C(=O)C1(C)CCCNC1
InChIInChI=1S/C12H23NO/c1-9(2)10(3)11(14)12(4)6-5-7-13-8-12/h9-10,13H,5-8H2,1-4H3
InChIKeyWVTPPSWGLVUFQG-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
4-methoxy-2-methyl-1-(3-methylpiperidin-3-yl)butan-1-one
CID 116569421
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
3-methylpiperidine-3-carbohydrazide
CID 63991806
2-amino-1-(3-methylpiperidin-3-yl)ethanone
CID 115012172
2-methyl-1-(3-methylpyrrolidin-3-yl)butan-1-one
CID 116569893
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpiperidine-3-carboxamide
CID 106175724
N-[(1R)-1-cycloheptylethyl]-3-methylpiperidine-3-carboxamide
CID 81392969
N-(2-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 102694942
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one?
The IUPAC name of 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one (CID 130729788) is 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one.
What is the SMILES notation for 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one?
The canonical SMILES for 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one is CC(C)C(C)C(=O)C1(C)CCCNC1.
What is the InChIKey of 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one?
The InChIKey is WVTPPSWGLVUFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)10(3)11(14)12(4)6-5-7-13-8-12/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one?
2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one is sourced from PubChem (CID 130729788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).