1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone

C15H19F2NO2 — CID 2422520

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C15H19F2NO2/c1-11-6-8-18(9-7-11)10-14(19)12-2-4-13(5-3-12)20-15(16)17/h2-5,11,15H,6-10H2,1H3
InChIKeyAVSZHDSBGBWQLF-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.20
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone

1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 2422520) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID2422520
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C15H19F2NO2/c1-11-6-8-18(9-7-11)10-14(19)12-2-4-13(5-3-12)20-15(16)17/h2-5,11,15H,6-10H2,1H3
InChIKeyAVSZHDSBGBWQLF-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone (CID 2422520) is 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is AVSZHDSBGBWQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-11-6-8-18(9-7-11)10-14(19)12-2-4-13(5-3-12)20-15(16)17/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone?
1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 283.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2422520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).