5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one

C18H17F2NO — CID 10236516

IUPAC5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one
SMILESO=C1CCC(Cc2ccccc2)CN1c1c(F)cccc1F
InChIInChI=1S/C18H17F2NO/c19-15-7-4-8-16(20)18(15)21-12-14(9-10-17(21)22)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeySSHCXEXBBGJTFQ-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.95
Rot. Bonds3

About 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one

5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one (PubChem CID 10236516) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one
PubChem CID10236516
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one
SMILESO=C1CCC(Cc2ccccc2)CN1c1c(F)cccc1F
InChIInChI=1S/C18H17F2NO/c19-15-7-4-8-16(20)18(15)21-12-14(9-10-17(21)22)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeySSHCXEXBBGJTFQ-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one?
The IUPAC name of 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one (CID 10236516) is 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one.
What is the SMILES notation for 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one?
The canonical SMILES for 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one is O=C1CCC(Cc2ccccc2)CN1c1c(F)cccc1F.
What is the InChIKey of 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one?
The InChIKey is SSHCXEXBBGJTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c19-15-7-4-8-16(20)18(15)21-12-14(9-10-17(21)22)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2.
What are the key properties of 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one?
5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one has a molecular weight of 301.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(2,6-difluorophenyl)piperidin-2-one is sourced from PubChem (CID 10236516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).