(2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one

C17H22F3NO2 — CID 99855905

IUPAC(2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C17H22F3NO2/c1-12(13-6-4-3-5-7-13)15(22)21-10-8-14(9-11-21)16(2,23)17(18,19)20/h3-7,12,14,23H,8-11H2,1-2H3/t12-,16+/m1/s1
InChIKeyJFHGOJXYFYUHHL-WBMJQRKESA-N
MW329.36 g/mol
LogP3.34
Rot. Bonds3

About (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one

(2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 99855905) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one
PubChem CID99855905
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C17H22F3NO2/c1-12(13-6-4-3-5-7-13)15(22)21-10-8-14(9-11-21)16(2,23)17(18,19)20/h3-7,12,14,23H,8-11H2,1-2H3/t12-,16+/m1/s1
InChIKeyJFHGOJXYFYUHHL-WBMJQRKESA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
1-cyclopropyl-4-(2-phenylpropanoyl)piperazin-2-one
CID 119034196
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
CID 111439401
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
CID 124616877
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one (CID 99855905) is (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is JFHGOJXYFYUHHL-WBMJQRKESA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-12(13-6-4-3-5-7-13)15(22)21-10-8-14(9-11-21)16(2,23)17(18,19)20/h3-7,12,14,23H,8-11H2,1-2H3/t12-,16+/m1/s1.
What are the key properties of (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one?
(2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 329.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-1-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 99855905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).