2-methyl-1-piperidin-1-ylpropan-1-one

C9H17NO — CID 4220866

IUPAC2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(2)9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKeyKHGRSURBPFQREH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds1

About 2-methyl-1-piperidin-1-ylpropan-1-one

2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 4220866) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperidin-1-ylpropan-1-one
PubChem CID4220866
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(2)9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKeyKHGRSURBPFQREH-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-piperidin-1-ylpropan-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 2-methyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-piperidin-1-ylpropan-1-one (CID 4220866) is 2-methyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-piperidin-1-ylpropan-1-one is CC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is KHGRSURBPFQREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-piperidin-1-ylpropan-1-one?
2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.65, 1 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-ylpropan-1-one is sourced from PubChem (CID 4220866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).