2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one

C11H18F3NO — CID 176833678

IUPAC2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)9(16)8-5-4-7(6-15-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3
InChIKeyUDEQHRXBEXGPRW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.53
Rot. Bonds1

About 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one

2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one (PubChem CID 176833678) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
PubChem CID176833678
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)9(16)8-5-4-7(6-15-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3
InChIKeyUDEQHRXBEXGPRW-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197
2,2-dimethyl-1-[5-(trifluoromethyl)piperazin-2-yl]propan-1-one
CID 176832490
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908583
(2,5-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908906
(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908572
N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908898
(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908807
N-methyl-N-propyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908623
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908525
N-cyclopentyl-N-ethyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908640
N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908871
N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908529

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one (CID 176833678) is 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one is CC(C)(C)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The InChIKey is UDEQHRXBEXGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-10(2,3)9(16)8-5-4-7(6-15-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one?
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one is sourced from PubChem (CID 176833678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).