2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone

C16H21F3N2O — CID 95550375

IUPAC2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)14-5-1-3-12(9-14)6-7-13-4-2-8-21(11-13)15(22)10-20/h1,3,5,9,13H,2,4,6-8,10-11,20H2/t13-/m1/s1
InChIKeyNWZPTXXCIFYEQW-CYBMUJFWSA-N
MW314.35 g/mol
LogP2.84
Rot. Bonds4

About 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone

2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 95550375) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
PubChem CID95550375
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)14-5-1-3-12(9-14)6-7-13-4-2-8-21(11-13)15(22)10-20/h1,3,5,9,13H,2,4,6-8,10-11,20H2/t13-/m1/s1
InChIKeyNWZPTXXCIFYEQW-CYBMUJFWSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95545428
1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 25477580
(2-hydroxyphenyl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553574
3-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 42190908
pyridin-2-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56863219
5-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95550119
(2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95486437
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56874697
(2,5-dimethyl-1,3-oxazol-4-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95476833
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95554391
2-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 95723970
imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553405

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone (CID 95550375) is 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone is NCC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is NWZPTXXCIFYEQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)14-5-1-3-12(9-14)6-7-13-4-2-8-21(11-13)15(22)10-20/h1,3,5,9,13H,2,4,6-8,10-11,20H2/t13-/m1/s1.
What are the key properties of 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 314.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95550375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).