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

C11H19F2NO — CID 176832695

IUPAC1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1NCCCC1C(F)F
InChIInChI=1S/C11H19F2NO/c1-11(2,3)9(15)8-7(10(12)13)5-4-6-14-8/h7-8,10,14H,4-6H2,1-3H3
InChIKeyWGCPYTILRTUBHJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.23
Rot. Bonds2

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

1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 176832695) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID176832695
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1NCCCC1C(F)F
InChIInChI=1S/C11H19F2NO/c1-11(2,3)9(15)8-7(10(12)13)5-4-6-14-8/h7-8,10,14H,4-6H2,1-3H3
InChIKeyWGCPYTILRTUBHJ-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(difluoromethyl)piperidin-2-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

Related Compounds

2,6-Ditert-butyl-3-methylpiperidin-4-one
CID 76311861
2-(Tert-butylamino)-4,4-dimethyl-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
CID 22973027
(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
CID 59115403
1-[1-(Ethylamino)-4-fluorocyclohexyl]-2,2-dimethylbutan-1-one
CID 68345380
2-(Ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
CID 89317351
2,2-dimethyl-1-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]propan-1-one
CID 89692752
2,2-Dimethyl-1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 121368340
1-[3-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 121371166
7,7,7-Trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one
CID 130433887
7,7,7-Trifluoro-2,6-dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 130433914
2-Ethyl-1-[1-(2,2,2-trifluoroethylamino)cyclopropyl]hexan-1-one
CID 130457348
1-[5-(Trifluoromethyl)piperidin-2-yl]ethanone
CID 140418735

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (CID 176832695) is 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1NCCCC1C(F)F.
What is the InChIKey of 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WGCPYTILRTUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-11(2,3)9(15)8-7(10(12)13)5-4-6-14-8/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 219.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176832695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).