1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one

C13H23NO — CID 131111529

IUPAC1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one
SMILESCC1CCCC(C(C)C(=O)C2CCC2)N1
InChIInChI=1S/C13H23NO/c1-9-5-3-8-12(14-9)10(2)13(15)11-6-4-7-11/h9-12,14H,3-8H2,1-2H3
InChIKeyXMMIDFNRZAHLQL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.52
Rot. Bonds3

About 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one

1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one (PubChem CID 131111529) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one
PubChem CID131111529
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one
SMILESCC1CCCC(C(C)C(=O)C2CCC2)N1
InChIInChI=1S/C13H23NO/c1-9-5-3-8-12(14-9)10(2)13(15)11-6-4-7-11/h9-12,14H,3-8H2,1-2H3
InChIKeyXMMIDFNRZAHLQL-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one?
The IUPAC name of 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one (CID 131111529) is 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one.
What is the SMILES notation for 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one?
The canonical SMILES for 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one is CC1CCCC(C(C)C(=O)C2CCC2)N1.
What is the InChIKey of 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one?
The InChIKey is XMMIDFNRZAHLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-5-3-8-12(14-9)10(2)13(15)11-6-4-7-11/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one?
1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one is sourced from PubChem (CID 131111529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).