5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one

C13H16F2N2O — CID 64656505

IUPAC5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCc2cc(F)ccc2F)CCC1=O
InChIInChI=1S/C13H16F2N2O/c1-17-8-11(3-5-13(17)18)16-7-9-6-10(14)2-4-12(9)15/h2,4,6,11,16H,3,5,7-8H2,1H3
InChIKeyVDCGIEOCSYENQC-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.68
Rot. Bonds3

About 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one

5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one (PubChem CID 64656505) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
PubChem CID64656505
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCc2cc(F)ccc2F)CCC1=O
InChIInChI=1S/C13H16F2N2O/c1-17-8-11(3-5-13(17)18)16-7-9-6-10(14)2-4-12(9)15/h2,4,6,11,16H,3,5,7-8H2,1H3
InChIKeyVDCGIEOCSYENQC-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one (CID 64656505) is 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one is CN1CC(NCc2cc(F)ccc2F)CCC1=O.
What is the InChIKey of 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is VDCGIEOCSYENQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-17-8-11(3-5-13(17)18)16-7-9-6-10(14)2-4-12(9)15/h2,4,6,11,16H,3,5,7-8H2,1H3.
What are the key properties of 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one?
5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 254.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64656505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).