(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one

C12H13F3N2O — CID 124634582

IUPAC(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
SMILESNc1ccc([C@@H]2CCNC(=O)C2)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-5-7(1-2-10(9)16)8-3-4-17-11(18)6-8/h1-2,5,8H,3-4,6,16H2,(H,17,18)/t8-/m1/s1
InChIKeyYIWNJIUUVMRHQY-MRVPVSSYSA-N
MW258.24 g/mol
LogP2.28
Rot. Bonds1

About (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one

(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 124634582) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID124634582
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
SMILESNc1ccc([C@@H]2CCNC(=O)C2)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-5-7(1-2-10(9)16)8-3-4-17-11(18)6-8/h1-2,5,8H,3-4,6,16H2,(H,17,18)/t8-/m1/s1
InChIKeyYIWNJIUUVMRHQY-MRVPVSSYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one
CID 53417808
2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 57162984
4-(oxan-4-yl)-2-(trifluoromethyl)aniline
CID 172649951
4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
CID 176969199
(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634597
4-(4-tert-butylphenyl)piperidin-2-one
CID 58901934
(4R)-4-(4-tert-butylphenyl)piperidin-2-one
CID 129394297
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one
CID 53417897
(4S)-4-[4-(chloromethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634477
(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
CID 124634598

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one (CID 124634582) is (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one is Nc1ccc([C@@H]2CCNC(=O)C2)cc1C(F)(F)F.
What is the InChIKey of (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is YIWNJIUUVMRHQY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)9-5-7(1-2-10(9)16)8-3-4-17-11(18)6-8/h1-2,5,8H,3-4,6,16H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one?
(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 258.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 124634582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).