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

C10H19NO — CID 4075318

IUPAC3-methyl-1-piperidin-1-ylbutan-1-one
SMILESCC(C)CC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO/c1-9(2)8-10(12)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKeyBCVHFAJWGDZJSA-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds2

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

3-methyl-1-piperidin-1-ylbutan-1-one (PubChem CID 4075318) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-piperidin-1-ylbutan-1-one
PubChem CID4075318
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-1-piperidin-1-ylbutan-1-one
SMILESCC(C)CC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO/c1-9(2)8-10(12)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKeyBCVHFAJWGDZJSA-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

Analyze 3-methyl-1-piperidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 3-methyl-1-piperidin-1-ylbutan-1-one (CID 4075318) is 3-methyl-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 3-methyl-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 3-methyl-1-piperidin-1-ylbutan-1-one is CC(C)CC(=O)N1CCCCC1.
What is the InChIKey of 3-methyl-1-piperidin-1-ylbutan-1-one?
The InChIKey is BCVHFAJWGDZJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)8-10(12)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-piperidin-1-ylbutan-1-one?
3-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 3-methyl-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 4075318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).