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

C21H22F3NO3 — CID 42844188

IUPAC2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)28-18-9-4-8-17(12-18)15-27-19-10-5-11-25(14-19)20(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2
InChIKeyORDXAXLGMJHDNG-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.34
Rot. Bonds6

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

2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone (PubChem CID 42844188) has the molecular formula C21H22F3NO3 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone
PubChem CID42844188
Molecular FormulaC21H22F3NO3
Molecular Weight393.40 g/mol
Exact Mass393.16
IUPAC Name2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)28-18-9-4-8-17(12-18)15-27-19-10-5-11-25(14-19)20(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2
InChIKeyORDXAXLGMJHDNG-UHFFFAOYSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93223765
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223787
(3-bromophenyl)-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 46029037
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 18456279
(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 42844185
1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42844172
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760
(3-bromophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 46029016
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
CID 119381637

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone (CID 42844188) is 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCCC(OCc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone?
The InChIKey is ORDXAXLGMJHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c22-21(23,24)28-18-9-4-8-17(12-18)15-27-19-10-5-11-25(14-19)20(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2.
What are the key properties of 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone?
2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone has a molecular weight of 393.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 42844188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).