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

C12H13F3N2O2 — CID 124634542

IUPAC(4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one
SMILESNc1ccc([C@@H]2CCNC(=O)C2)c(OC(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-8(16)1-2-9(10)7-3-4-17-11(18)5-7/h1-2,6-7H,3-5,16H2,(H,17,18)/t7-/m1/s1
InChIKeyHUDFDGVGGPQQMN-SSDOTTSWSA-N
MW274.24 g/mol
LogP2.16
Rot. Bonds2

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

(4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one (PubChem CID 124634542) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one
PubChem CID124634542
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name(4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one
SMILESNc1ccc([C@@H]2CCNC(=O)C2)c(OC(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-8(16)1-2-9(10)7-3-4-17-11(18)5-7/h1-2,6-7H,3-5,16H2,(H,17,18)/t7-/m1/s1
InChIKeyHUDFDGVGGPQQMN-SSDOTTSWSA-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-2-fluorophenyl)piperidin-2-one
CID 124634526
4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one
CID 53417808
4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]piperidin-2-one
CID 53417897
4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 53417785
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
CID 166120324
(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one
CID 124634458
(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634582
5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209505
4-(4-acetyl-2-fluorophenyl)piperidin-2-one
CID 53417743
4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride
CID 176908298
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one?
The IUPAC name of (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one (CID 124634542) is (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one.
What is the SMILES notation for (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one?
The canonical SMILES for (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one is Nc1ccc([C@@H]2CCNC(=O)C2)c(OC(F)(F)F)c1.
What is the InChIKey of (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one?
The InChIKey is HUDFDGVGGPQQMN-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-6-8(16)1-2-9(10)7-3-4-17-11(18)5-7/h1-2,6-7H,3-5,16H2,(H,17,18)/t7-/m1/s1.
What are the key properties of (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one?
(4R)-4-[4-amino-2-(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 (4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one is sourced from PubChem (CID 124634542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).