2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone

C19H19F3N2O — CID 146150675

IUPAC2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(F)(F)C(=O)N1CCC(c2ccc(F)cn2)CC1
InChIInChI=1S/C19H19F3N2O/c1-13-4-2-3-5-16(13)19(21,22)18(25)24-10-8-14(9-11-24)17-7-6-15(20)12-23-17/h2-7,12,14H,8-11H2,1H3
InChIKeyVLHSUUMQFKKQEC-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.03
Rot. Bonds3

About 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone

2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 146150675) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID146150675
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(F)(F)C(=O)N1CCC(c2ccc(F)cn2)CC1
InChIInChI=1S/C19H19F3N2O/c1-13-4-2-3-5-16(13)19(21,22)18(25)24-10-8-14(9-11-24)17-7-6-15(20)12-23-17/h2-7,12,14H,8-11H2,1H3
InChIKeyVLHSUUMQFKKQEC-UHFFFAOYSA-N
XLogP4.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone (CID 146150675) is 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1C(F)(F)C(=O)N1CCC(c2ccc(F)cn2)CC1.
What is the InChIKey of 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is VLHSUUMQFKKQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-13-4-2-3-5-16(13)19(21,22)18(25)24-10-8-14(9-11-24)17-7-6-15(20)12-23-17/h2-7,12,14H,8-11H2,1H3.
What are the key properties of 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone?
2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 348.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-(5-fluoro-2-pyridinyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 146150675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).