(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone

C15H17F4NO — CID 79883718

IUPAC(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCC1CCCC(C)N1C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H17F4NO/c1-9-5-3-6-10(2)20(9)14(21)11-7-4-8-12(13(11)16)15(17,18)19/h4,7-10H,3,5-6H2,1-2H3
InChIKeyXMKBTOXKFNCDOH-UHFFFAOYSA-N
MW303.30 g/mol
LogP4.25
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone

(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 79883718) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID79883718
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCC1CCCC(C)N1C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H17F4NO/c1-9-5-3-6-10(2)20(9)14(21)11-7-4-8-12(13(11)16)15(17,18)19/h4,7-10H,3,5-6H2,1-2H3
InChIKeyXMKBTOXKFNCDOH-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 79883718) is (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone is CC1CCCC(C)N1C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is XMKBTOXKFNCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c1-9-5-3-6-10(2)20(9)14(21)11-7-4-8-12(13(11)16)15(17,18)19/h4,7-10H,3,5-6H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 303.30 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 79883718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).