1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one

C12H13F3N2O — CID 66618912

IUPAC1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one
SMILESNN1C(=O)CCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-4-1-3-8(7-9)10-5-2-6-11(18)17(10)16/h1,3-4,7,10H,2,5-6,16H2
InChIKeyWPBDWDLRDPJMBJ-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.63
Rot. Bonds1

About 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one

1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 66618912) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID66618912
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one
SMILESNN1C(=O)CCCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-4-1-3-8(7-9)10-5-2-6-11(18)17(10)16/h1,3-4,7,10H,2,5-6,16H2
InChIKeyWPBDWDLRDPJMBJ-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one (CID 66618912) is 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one is NN1C(=O)CCCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is WPBDWDLRDPJMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)9-4-1-3-8(7-9)10-5-2-6-11(18)17(10)16/h1,3-4,7,10H,2,5-6,16H2.
What are the key properties of 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one?
1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 258.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-[3-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 66618912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).