(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one

C15H18F3NO2 — CID 10780630

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one
SMILESCO[C@@](C(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-21-14(15(16,17)18,12-8-4-2-5-9-12)13(20)19-10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyMINBYDAGTPTBIJ-CQSZACIVSA-N
MW301.31 g/mol
LogP3.10
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one

(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 10780630) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID10780630
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one
SMILESCO[C@@](C(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-21-14(15(16,17)18,12-8-4-2-5-9-12)13(20)19-10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyMINBYDAGTPTBIJ-CQSZACIVSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10080
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CID 12488718
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-1-[4-(2-dimethylamino-ethyl)-piperidin-1-yl]-2-hydroxy-2-phenyl-ethanone
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CID 162674852
3-Hydroxy-1-methyl-3-phenyl-2-piperidinone
CID 135950
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
2-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one (CID 10780630) is (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one is CO[C@@](C(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is MINBYDAGTPTBIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-21-14(15(16,17)18,12-8-4-2-5-9-12)13(20)19-10-6-3-7-11-19/h2,4-5,8-9H,3,6-7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one?
(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 301.31 g/mol, XLogP of 3.10, 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-2-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 10780630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).