2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one

C11H21NO — CID 22620154

IUPAC2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one
SMILESCCC(C)C(=O)C1CCCC(C)N1
InChIInChI=1S/C11H21NO/c1-4-8(2)11(13)10-7-5-6-9(3)12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyIXCPOHKBYCOOLP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one

2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one (PubChem CID 22620154) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one.

Molecular Properties

Compound Name2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one
PubChem CID22620154
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one
SMILESCCC(C)C(=O)C1CCCC(C)N1
InChIInChI=1S/C11H21NO/c1-4-8(2)11(13)10-7-5-6-9(3)12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyIXCPOHKBYCOOLP-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one?
The IUPAC name of 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one (CID 22620154) is 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one.
What is the SMILES notation for 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one?
The canonical SMILES for 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one is CCC(C)C(=O)C1CCCC(C)N1.
What is the InChIKey of 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one?
The InChIKey is IXCPOHKBYCOOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-8(2)11(13)10-7-5-6-9(3)12-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one?
2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylpiperidin-2-yl)butan-1-one is sourced from PubChem (CID 22620154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).