1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C12H20F3NO2 — CID 126750477

IUPAC1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOC1(C(F)(F)F)CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H20F3NO2/c1-10(2,3)9(17)16-7-5-6-11(8-16,18-4)12(13,14)15/h5-8H2,1-4H3
InChIKeyVZTKFUQVOYVHNU-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds1

About 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750477) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750477
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOC1(C(F)(F)F)CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C12H20F3NO2/c1-10(2,3)9(17)16-7-5-6-11(8-16,18-4)12(13,14)15/h5-8H2,1-4H3
InChIKeyVZTKFUQVOYVHNU-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-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 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 126750477) is 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is COC1(C(F)(F)F)CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is VZTKFUQVOYVHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-10(2,3)9(17)16-7-5-6-11(8-16,18-4)12(13,14)15/h5-8H2,1-4H3.
What are the key properties of 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).