1-(2,4-dimethylpiperidin-1-yl)butan-2-one

C11H21NO — CID 62330875

IUPAC1-(2,4-dimethylpiperidin-1-yl)butan-2-one
SMILESCCC(=O)CN1CCC(C)CC1C
InChIInChI=1S/C11H21NO/c1-4-11(13)8-12-6-5-9(2)7-10(12)3/h9-10H,4-8H2,1-3H3
InChIKeyIQVWPYAIPKAFSK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds3

About 1-(2,4-dimethylpiperidin-1-yl)butan-2-one

1-(2,4-dimethylpiperidin-1-yl)butan-2-one (PubChem CID 62330875) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidin-1-yl)butan-2-one
PubChem CID62330875
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2,4-dimethylpiperidin-1-yl)butan-2-one
SMILESCCC(=O)CN1CCC(C)CC1C
InChIInChI=1S/C11H21NO/c1-4-11(13)8-12-6-5-9(2)7-10(12)3/h9-10H,4-8H2,1-3H3
InChIKeyIQVWPYAIPKAFSK-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
CID 62332508
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010
2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163124821
1-[2-(2,4-dimethylpiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63572968
methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 62331651
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948
2,4-dimethyl-1-(3-methylbut-2-enyl)piperidine
CID 130634349
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
CID 62330006
2,4-dimethyl-1-[(2-methylcyclopropyl)methyl]piperidine
CID 130718623

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)butan-2-one?
The IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)butan-2-one (CID 62330875) is 1-(2,4-dimethylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 1-(2,4-dimethylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 1-(2,4-dimethylpiperidin-1-yl)butan-2-one is CCC(=O)CN1CCC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylpiperidin-1-yl)butan-2-one?
The InChIKey is IQVWPYAIPKAFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(13)8-12-6-5-9(2)7-10(12)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(2,4-dimethylpiperidin-1-yl)butan-2-one?
1-(2,4-dimethylpiperidin-1-yl)butan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 62330875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).