(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

C17H22F3NO2 — CID 10687789

IUPAC(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1[C@@H](C)CCC[C@@H]1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H22F3NO2/c1-12-8-7-9-13(2)21(12)15(22)16(23-3,17(18,19)20)14-10-5-4-6-11-14/h4-6,10-13H,7-9H2,1-3H3/t12-,13-,16+/m0/s1
InChIKeyXEOCHTBBTKISDK-HEHGZKQESA-N
MW329.36 g/mol
LogP3.88
Rot. Bonds3

About (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (PubChem CID 10687789) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
PubChem CID10687789
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1[C@@H](C)CCC[C@@H]1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H22F3NO2/c1-12-8-7-9-13(2)21(12)15(22)16(23-3,17(18,19)20)14-10-5-4-6-11-14/h4-6,10-13H,7-9H2,1-3H3/t12-,13-,16+/m0/s1
InChIKeyXEOCHTBBTKISDK-HEHGZKQESA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one with MolForge

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Related Compounds

Carbiphene
CID 10080
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-1-[4-(2-dimethylamino-ethyl)-piperidin-1-yl]-2-hydroxy-2-phenyl-ethanone
CID 44308799
4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
[2-(Cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
CID 3230486
3-Methoxy-3-phenyl-2-piperidinone
CID 137300
1-(2,6-Difluorophenyl)-2-morpholino-2-oxoethyl acetate
CID 3781514
1-(Ethoxycarbonyl)-3-methoxy-3-phenyl-2-piperidinone
CID 137301
N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
CID 2897080
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
Benzilamide, N-ethyl-N-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl-, hydrochloride
CID 24834801
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 4136474

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (CID 10687789) is (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one is CO[C@@](C(=O)N1[C@@H](C)CCC[C@@H]1C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?
The InChIKey is XEOCHTBBTKISDK-HEHGZKQESA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-12-8-7-9-13(2)21(12)15(22)16(23-3,17(18,19)20)14-10-5-4-6-11-14/h4-6,10-13H,7-9H2,1-3H3/t12-,13-,16+/m0/s1.
What are the key properties of (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one has a molecular weight of 329.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one is sourced from PubChem (CID 10687789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).