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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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).