3-methyl-1-piperidin-2-ylbutan-2-one

C10H19NO — CID 79536820

IUPAC3-methyl-1-piperidin-2-ylbutan-2-one
SMILESCC(C)C(=O)CC1CCCCN1
InChIInChI=1S/C10H19NO/c1-8(2)10(12)7-9-5-3-4-6-11-9/h8-9,11H,3-7H2,1-2H3
InChIKeyJTMVAQXYRJXXAF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-1-piperidin-2-ylbutan-2-one

3-methyl-1-piperidin-2-ylbutan-2-one (PubChem CID 79536820) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-1-piperidin-2-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-1-piperidin-2-ylbutan-2-one
PubChem CID79536820
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-1-piperidin-2-ylbutan-2-one
SMILESCC(C)C(=O)CC1CCCCN1
InChIInChI=1S/C10H19NO/c1-8(2)10(12)7-9-5-3-4-6-11-9/h8-9,11H,3-7H2,1-2H3
InChIKeyJTMVAQXYRJXXAF-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperidin-2-ylbutan-2-one?
The IUPAC name of 3-methyl-1-piperidin-2-ylbutan-2-one (CID 79536820) is 3-methyl-1-piperidin-2-ylbutan-2-one.
What is the SMILES notation for 3-methyl-1-piperidin-2-ylbutan-2-one?
The canonical SMILES for 3-methyl-1-piperidin-2-ylbutan-2-one is CC(C)C(=O)CC1CCCCN1.
What is the InChIKey of 3-methyl-1-piperidin-2-ylbutan-2-one?
The InChIKey is JTMVAQXYRJXXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(12)7-9-5-3-4-6-11-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-piperidin-2-ylbutan-2-one?
3-methyl-1-piperidin-2-ylbutan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperidin-2-ylbutan-2-one is sourced from PubChem (CID 79536820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).