(2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one

C16H20F3NO2 — CID 10519395

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CCC[C@@H](C)C1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-12-7-6-10-20(11-12)14(21)15(22-2,16(17,18)19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyBIUMIIXVTFZNLS-IUODEOHRSA-N
MW315.33 g/mol
LogP3.35
Rot. Bonds3

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

(2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 10519395) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one
PubChem CID10519395
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CCC[C@@H](C)C1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-12-7-6-10-20(11-12)14(21)15(22-2,16(17,18)19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyBIUMIIXVTFZNLS-IUODEOHRSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

Carbiphene
CID 10080
Benzeneacetamide, alpha-ethoxy-N-methyl-N-(2-(methyl(2-phenylethyl)amino)ethyl)-alpha-phenyl-, hydrochloride (1:1)
CID 10079
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 9799291
(R)-1-(4-Aminomethyl-piperidin-1-yl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44309153
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-1-[4-(2-dimethylamino-ethyl)-piperidin-1-yl]-2-hydroxy-2-phenyl-ethanone
CID 44308799
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-1-[4-(2-methylamino-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 44308831
(R)-1-[4-(3-Amino-propyl)-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44309151
4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
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
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-1-[4-(2-piperidin-1-yl-ethyl)-piperidin-1-yl]-ethanone
CID 44308798

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one (CID 10519395) is (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one is CO[C@@](C(=O)N1CCC[C@@H](C)C1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is BIUMIIXVTFZNLS-IUODEOHRSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-12-7-6-10-20(11-12)14(21)15(22-2,16(17,18)19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one?
(2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 315.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methoxy-1-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 10519395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).