2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one

C12H20F3NO2 — CID 176834152

IUPAC2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one
SMILESCC1CC(OC(F)(F)F)CNC1C(=O)C(C)(C)C
InChIInChI=1S/C12H20F3NO2/c1-7-5-8(18-12(13,14)15)6-16-9(7)10(17)11(2,3)4/h7-9,16H,5-6H2,1-4H3
InChIKeyQIGCPNOSBXYARI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.50
Rot. Bonds2

About 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one

2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one (PubChem CID 176834152) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one
PubChem CID176834152
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one
SMILESCC1CC(OC(F)(F)F)CNC1C(=O)C(C)(C)C
InChIInChI=1S/C12H20F3NO2/c1-7-5-8(18-12(13,14)15)6-16-9(7)10(17)11(2,3)4/h7-9,16H,5-6H2,1-4H3
InChIKeyQIGCPNOSBXYARI-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 176833571
2-methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745
tert-butyl N-[[(2S,4R)-4-(trifluoromethoxy)pyrrolidin-2-yl]methyl]carbamate
CID 175670752
2,2-dimethyl-1-(3-methylpiperidin-2-yl)propan-1-one
CID 176832528
1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one
CID 176834143
1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 116560655
2-tert-butyl-5-(trifluoromethoxy)piperidine
CID 155003843
(2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 25181103
2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid
CID 69186735
(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine
CID 177313582
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
1-(5-chloro-2-methyl-1,3-diazinan-4-yl)-2,2-dimethylpropan-1-one
CID 176832662

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one (CID 176834152) is 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one is CC1CC(OC(F)(F)F)CNC1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one?
The InChIKey is QIGCPNOSBXYARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-7-5-8(18-12(13,14)15)6-16-9(7)10(17)11(2,3)4/h7-9,16H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one?
2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one is sourced from PubChem (CID 176834152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).