(4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one

C11H11F3N2O — CID 45140503

IUPAC(4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one
SMILESN[C@H]1CNC(=O)C[C@@H]1c1cc(F)c(F)cc1F
InChIInChI=1S/C11H11F3N2O/c12-7-3-9(14)8(13)1-5(7)6-2-11(17)16-4-10(6)15/h1,3,6,10H,2,4,15H2,(H,16,17)/t6-,10+/m1/s1
InChIKeyFUEHVOURBCEJAS-LDWIPMOCSA-N
MW244.22 g/mol
LogP1.03
Rot. Bonds1

About (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one

(4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one (PubChem CID 45140503) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one
PubChem CID45140503
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one
SMILESN[C@H]1CNC(=O)C[C@@H]1c1cc(F)c(F)cc1F
InChIInChI=1S/C11H11F3N2O/c12-7-3-9(14)8(13)1-5(7)6-2-11(17)16-4-10(6)15/h1,3,6,10H,2,4,15H2,(H,16,17)/t6-,10+/m1/s1
InChIKeyFUEHVOURBCEJAS-LDWIPMOCSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one?
The IUPAC name of (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one (CID 45140503) is (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one.
What is the SMILES notation for (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one?
The canonical SMILES for (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one is N[C@H]1CNC(=O)C[C@@H]1c1cc(F)c(F)cc1F.
What is the InChIKey of (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one?
The InChIKey is FUEHVOURBCEJAS-LDWIPMOCSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-7-3-9(14)8(13)1-5(7)6-2-11(17)16-4-10(6)15/h1,3,6,10H,2,4,15H2,(H,16,17)/t6-,10+/m1/s1.
What are the key properties of (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one?
(4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one has a molecular weight of 244.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one is sourced from PubChem (CID 45140503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).