1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one

C18H17F3N2O2 — CID 58008159

IUPAC1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one
SMILESNc1ccc(N2CCCCC2=O)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)25-14-7-4-12(5-8-14)15-11-13(22)6-9-16(15)23-10-2-1-3-17(23)24/h4-9,11H,1-3,10,22H2
InChIKeyYBWNDSBNACBKMH-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.35
Rot. Bonds3

About 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one

1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one (PubChem CID 58008159) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one
PubChem CID58008159
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one
SMILESNc1ccc(N2CCCCC2=O)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)25-14-7-4-12(5-8-14)15-11-13(22)6-9-16(15)23-10-2-1-3-17(23)24/h4-9,11H,1-3,10,22H2
InChIKeyYBWNDSBNACBKMH-UHFFFAOYSA-N
XLogP4.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one (CID 58008159) is 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one is Nc1ccc(N2CCCCC2=O)c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one?
The InChIKey is YBWNDSBNACBKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)25-14-7-4-12(5-8-14)15-11-13(22)6-9-16(15)23-10-2-1-3-17(23)24/h4-9,11H,1-3,10,22H2.
What are the key properties of 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one?
1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one has a molecular weight of 350.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[4-(trifluoromethoxy)phenyl]phenyl]piperidin-2-one is sourced from PubChem (CID 58008159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).