5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one

C13H16F2N2O2 — CID 79832476

IUPAC5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCc2cc(F)c(O)c(F)c2)CCC1=O
InChIInChI=1S/C13H16F2N2O2/c1-17-7-9(2-3-12(17)18)16-6-8-4-10(14)13(19)11(15)5-8/h4-5,9,16,19H,2-3,6-7H2,1H3
InChIKeyZVOMCPTWSLVNMK-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.38
Rot. Bonds3

About 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one

5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one (PubChem CID 79832476) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
PubChem CID79832476
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCc2cc(F)c(O)c(F)c2)CCC1=O
InChIInChI=1S/C13H16F2N2O2/c1-17-7-9(2-3-12(17)18)16-6-8-4-10(14)13(19)11(15)5-8/h4-5,9,16,19H,2-3,6-7H2,1H3
InChIKeyZVOMCPTWSLVNMK-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-difluorophenyl)methylamino]-1-methylpiperidin-2-one
CID 64656505
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 95932164
5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 104646399
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 64655740
5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103252997
1-methyl-5-(2-methylprop-2-enylamino)piperidin-2-one
CID 64654537
4-[[(1,1-dioxothian-4-yl)amino]methyl]-2,6-difluorophenol
CID 79891410
5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 104608993
5-fluoro-N'-hydroxy-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77055285

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one (CID 79832476) is 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one is CN1CC(NCc2cc(F)c(O)c(F)c2)CCC1=O.
What is the InChIKey of 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is ZVOMCPTWSLVNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-17-7-9(2-3-12(17)18)16-6-8-4-10(14)13(19)11(15)5-8/h4-5,9,16,19H,2-3,6-7H2,1H3.
What are the key properties of 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one?
5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 270.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 79832476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).