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

C12H13F3N2O2 — CID 53417808

IUPAC4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one
SMILESNc1ccc(C2CCNC(=O)C2)cc1OC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-5-7(1-2-9(10)16)8-3-4-17-11(18)6-8/h1-2,5,8H,3-4,6,16H2,(H,17,18)
InChIKeyHZXFVHSHCAPLCW-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.16
Rot. Bonds2

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

4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one (PubChem CID 53417808) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one.

Molecular Properties

Compound Name4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one
PubChem CID53417808
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one
SMILESNc1ccc(C2CCNC(=O)C2)cc1OC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-5-7(1-2-9(10)16)8-3-4-17-11(18)6-8/h1-2,5,8H,3-4,6,16H2,(H,17,18)
InChIKeyHZXFVHSHCAPLCW-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634582
(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
(4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one
CID 124634542
4-[4-amino-3-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 53417791
4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
CID 176969199
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
(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
CID 124634598
(4S)-4-[4-(chloromethyl)phenyl]piperidin-2-one
CID 124634482
(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one
CID 124634526
4-(5-amino-6-methoxy-2-pyridinyl)piperidin-2-one
CID 53417881

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one?
The IUPAC name of 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one (CID 53417808) is 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one.
What is the SMILES notation for 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one?
The canonical SMILES for 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one is Nc1ccc(C2CCNC(=O)C2)cc1OC(F)(F)F.
What is the InChIKey of 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one?
The InChIKey is HZXFVHSHCAPLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-5-7(1-2-9(10)16)8-3-4-17-11(18)6-8/h1-2,5,8H,3-4,6,16H2,(H,17,18).
What are the key properties of 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one?
4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one has a molecular weight of 274.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one is sourced from PubChem (CID 53417808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).