3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one

C13H15F3N2O — CID 66477583

IUPAC3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one
SMILESCc1ccc(C(F)(F)F)cc1N1CCCC(N)C1=O
InChIInChI=1S/C13H15F3N2O/c1-8-4-5-9(13(14,15)16)7-11(8)18-6-2-3-10(17)12(18)19/h4-5,7,10H,2-3,6,17H2,1H3
InChIKeyMOEFKKXPWBWAKC-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.47
Rot. Bonds1

About 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one

3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 66477583) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID66477583
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one
SMILESCc1ccc(C(F)(F)F)cc1N1CCCC(N)C1=O
InChIInChI=1S/C13H15F3N2O/c1-8-4-5-9(13(14,15)16)7-11(8)18-6-2-3-10(17)12(18)19/h4-5,7,10H,2-3,6,17H2,1H3
InChIKeyMOEFKKXPWBWAKC-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 63667119
9-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 66475285
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
3-amino-1-(2,6-dichloro-4-fluorophenyl)piperidin-2-one
CID 83081282
1-tert-butyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 130454920
3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 66477775
(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034521
3-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 116700143
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64961356
3-tert-butyl-1-(2,5-dimethylphenyl)-1,4-diazepane-2,5-dione
CID 64955384
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one (CID 66477583) is 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one is Cc1ccc(C(F)(F)F)cc1N1CCCC(N)C1=O.
What is the InChIKey of 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is MOEFKKXPWBWAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8-4-5-9(13(14,15)16)7-11(8)18-6-2-3-10(17)12(18)19/h4-5,7,10H,2-3,6,17H2,1H3.
What are the key properties of 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one?
3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 272.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 66477583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).