[(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate

C15H16F3NO3 — CID 135015896

IUPAC[(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCN(C(=O)C(F)(F)F)[C@@H]1c1ccccc1
InChIInChI=1S/C15H16F3NO3/c1-10(20)22-12-8-5-9-19(14(21)15(16,17)18)13(12)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3/t12-,13-/m1/s1
InChIKeyOLALNGJPWVQPMT-CHWSQXEVSA-N
MW315.29 g/mol
LogP2.84
Rot. Bonds2

About [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate

[(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate (PubChem CID 135015896) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate
PubChem CID135015896
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name[(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCN(C(=O)C(F)(F)F)[C@@H]1c1ccccc1
InChIInChI=1S/C15H16F3NO3/c1-10(20)22-12-8-5-9-19(14(21)15(16,17)18)13(12)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3/t12-,13-/m1/s1
InChIKeyOLALNGJPWVQPMT-CHWSQXEVSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-ethanone
CID 44307089
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
3,4-Piperidinediol, 1,3-dimethyl-6-(2-fluorophenyl)-, diacetate (ester), hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051064
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263
Methyl 4-oxo-4-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}butanoate
CID 45230667
4-Acetyl-2-[3-(trifluoromethyl)benzyl]morpholine
CID 50951362
(2S)-1-(tert-Butoxycarbonyl)-2beta-phenyl-3beta-[3,5-bis(trifluoromethyl)benzyloxy]piperidine
CID 16038143
Phenmetrazine N-TFA
CID 91752749
(5S)-N-tert-Butyloxycarbonyl-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one
CID 10945746
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11023403
(2S)-1-(Trifluoroacetyl)-2beta-phenyl-3alpha-acetoxypiperidine
CID 12035421
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
CID 132530885

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate?
The IUPAC name of [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate (CID 135015896) is [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate?
The canonical SMILES for [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate is CC(=O)O[C@@H]1CCCN(C(=O)C(F)(F)F)[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate?
The InChIKey is OLALNGJPWVQPMT-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-10(20)22-12-8-5-9-19(14(21)15(16,17)18)13(12)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate?
[(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate has a molecular weight of 315.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate is sourced from PubChem (CID 135015896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).