2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone

C16H20F3NO3 — CID 93223656

IUPAC2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H20F3NO3/c1-22-11-15(21)20-7-3-6-14(9-20)23-10-12-4-2-5-13(8-12)16(17,18)19/h2,4-5,8,14H,3,6-7,9-11H2,1H3/t14-/m0/s1
InChIKeyPAKHGVFTRRPCAD-AWEZNQCLSA-N
MW331.33 g/mol
LogP2.86
Rot. Bonds5

About 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone

2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone (PubChem CID 93223656) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
PubChem CID93223656
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H20F3NO3/c1-22-11-15(21)20-7-3-6-14(9-20)23-10-12-4-2-5-13(8-12)16(17,18)19/h2,4-5,8,14H,3,6-7,9-11H2,1H3/t14-/m0/s1
InChIKeyPAKHGVFTRRPCAD-AWEZNQCLSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
3,3-dimethyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]butan-1-one
CID 42844101
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone
CID 42844188
[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93223765
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
CID 93223599
2-(4-chlorophenoxy)-1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223135
2-(4-chlorophenoxy)-1-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42844150
1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42844172
cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46028918

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone (CID 93223656) is 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone?
The InChIKey is PAKHGVFTRRPCAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-22-11-15(21)20-7-3-6-14(9-20)23-10-12-4-2-5-13(8-12)16(17,18)19/h2,4-5,8,14H,3,6-7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone has a molecular weight of 331.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 93223656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).