3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one

C11H21NO — CID 116685291

IUPAC3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
SMILESCC1CCNC(CC(=O)C(C)C)C1
InChIInChI=1S/C11H21NO/c1-8(2)11(13)7-10-6-9(3)4-5-12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyDJDPQADWYZGXFD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.99
Rot. Bonds3

About 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one

3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one (PubChem CID 116685291) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
PubChem CID116685291
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
SMILESCC1CCNC(CC(=O)C(C)C)C1
InChIInChI=1S/C11H21NO/c1-8(2)11(13)7-10-6-9(3)4-5-12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyDJDPQADWYZGXFD-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one
CID 165474384
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
ethane;2-ethyl-4-methylpiperidine
CID 142379207
3-methyl-1-(3-methylcyclobutyl)butan-2-one
CID 157464694
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 116685051
4-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010595
3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685103
1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone
CID 107354754

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one (CID 116685291) is 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one is CC1CCNC(CC(=O)C(C)C)C1.
What is the InChIKey of 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one?
The InChIKey is DJDPQADWYZGXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)11(13)7-10-6-9(3)4-5-12-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one?
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one has a molecular weight of 183.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one is sourced from PubChem (CID 116685291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).