5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one

C13H17FN2O — CID 63661374

IUPAC5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
SMILESCc1ccc(CNC2CCC(=O)NC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(6-12(9)14)7-15-11-4-5-13(17)16-8-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyAWNVAEKDXOULRH-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.50
Rot. Bonds3

About 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one

5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one (PubChem CID 63661374) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
PubChem CID63661374
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
SMILESCc1ccc(CNC2CCC(=O)NC2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(6-12(9)14)7-15-11-4-5-13(17)16-8-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyAWNVAEKDXOULRH-UHFFFAOYSA-N
XLogP1.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one
CID 115282854
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
4-fluoro-3-[[(6-oxopiperidin-3-yl)amino]methyl]benzonitrile
CID 55244902
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one?
The IUPAC name of 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one (CID 63661374) is 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one is Cc1ccc(CNC2CCC(=O)NC2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one?
The InChIKey is AWNVAEKDXOULRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-2-3-10(6-12(9)14)7-15-11-4-5-13(17)16-8-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one?
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 63661374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).