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

C10H19NO — CID 3016453

IUPAC2-methyl-1-piperidin-1-ylbutan-1-one
SMILESCCC(C)C(=O)N1CCCCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKeyDLBXFSLJOBEJOJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds2

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

2-methyl-1-piperidin-1-ylbutan-1-one (PubChem CID 3016453) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperidin-1-ylbutan-1-one
PubChem CID3016453
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-1-piperidin-1-ylbutan-1-one
SMILESCCC(C)C(=O)N1CCCCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKeyDLBXFSLJOBEJOJ-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 2-methyl-1-piperidin-1-ylbutan-1-one (CID 3016453) is 2-methyl-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 2-methyl-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 2-methyl-1-piperidin-1-ylbutan-1-one is CCC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-1-piperidin-1-ylbutan-1-one?
The InChIKey is DLBXFSLJOBEJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)10(12)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-piperidin-1-ylbutan-1-one?
2-methyl-1-piperidin-1-ylbutan-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 3016453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).