2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one

C13H25NO — CID 91129549

IUPAC2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N1CCC(C)(C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)12(15)11(3)14-8-6-13(4,5)7-9-14/h10-11H,6-9H2,1-5H3
InChIKeyGJHIURAYWBMRPE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds3

About 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one

2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one (PubChem CID 91129549) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one
PubChem CID91129549
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N1CCC(C)(C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)12(15)11(3)14-8-6-13(4,5)7-9-14/h10-11H,6-9H2,1-5H3
InChIKeyGJHIURAYWBMRPE-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-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-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one (CID 91129549) is 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one is CC(C)C(=O)C(C)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one?
The InChIKey is GJHIURAYWBMRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)12(15)11(3)14-8-6-13(4,5)7-9-14/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one?
2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-4-methylpentan-3-one is sourced from PubChem (CID 91129549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).