2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

C13H25NO — CID 114597477

IUPAC2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)C(C)N(C(=O)C(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-9-7-10(2)11(3)14(8-9)12(15)13(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyQICOGYSQGIXODM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds

About 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (PubChem CID 114597477) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
PubChem CID114597477
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)C(C)N(C(=O)C(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-9-7-10(2)11(3)14(8-9)12(15)13(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyQICOGYSQGIXODM-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (CID 114597477) is 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is CC1CC(C)C(C)N(C(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The InChIKey is QICOGYSQGIXODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9-7-10(2)11(3)14(8-9)12(15)13(4,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 114597477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).