1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone

C15H19F2NO — CID 83856150

IUPAC1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C(F)(F)C2CCCN(C)C2)c1
InChIInChI=1S/C15H19F2NO/c1-11(19)12-5-3-6-13(9-12)15(16,17)14-7-4-8-18(2)10-14/h3,5-6,9,14H,4,7-8,10H2,1-2H3
InChIKeyZUXNXRDICJLJIJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.32
Rot. Bonds3

About 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone

1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone (PubChem CID 83856150) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone
PubChem CID83856150
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C(F)(F)C2CCCN(C)C2)c1
InChIInChI=1S/C15H19F2NO/c1-11(19)12-5-3-6-13(9-12)15(16,17)14-7-4-8-18(2)10-14/h3,5-6,9,14H,4,7-8,10H2,1-2H3
InChIKeyZUXNXRDICJLJIJ-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone (CID 83856150) is 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone is CC(=O)c1cccc(C(F)(F)C2CCCN(C)C2)c1.
What is the InChIKey of 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone?
The InChIKey is ZUXNXRDICJLJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-11(19)12-5-3-6-13(9-12)15(16,17)14-7-4-8-18(2)10-14/h3,5-6,9,14H,4,7-8,10H2,1-2H3.
What are the key properties of 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone?
1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[difluoro-(1-methylpiperidin-3-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 83856150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).