[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C20H18F5NO2 — CID 46028989

IUPAC[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C20H18F5NO2/c21-16-8-13(9-17(22)10-16)12-28-18-2-1-7-26(11-18)19(27)14-3-5-15(6-4-14)20(23,24)25/h3-6,8-10,18H,1-2,7,11-12H2
InChIKeyLHBORJBUHBOICL-UHFFFAOYSA-N
MW399.36 g/mol
LogP4.80
Rot. Bonds4

About [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 46028989) has the molecular formula C20H18F5NO2 and a molecular weight of 399.36 g/mol. Its IUPAC name is [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID46028989
Molecular FormulaC20H18F5NO2
Molecular Weight399.36 g/mol
Exact Mass399.13
IUPAC Name[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C20H18F5NO2/c21-16-8-13(9-17(22)10-16)12-28-18-2-1-7-26(11-18)19(27)14-3-5-15(6-4-14)20(23,24)25/h3-6,8-10,18H,1-2,7,11-12H2
InChIKeyLHBORJBUHBOICL-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 46028668
[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93223765
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028836
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42844155
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
CID 46029174
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
3,3-dimethyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]butan-1-one
CID 42844101
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 46028989) is [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2cc(F)cc(F)c2)C1.
What is the InChIKey of [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is LHBORJBUHBOICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5NO2/c21-16-8-13(9-17(22)10-16)12-28-18-2-1-7-26(11-18)19(27)14-3-5-15(6-4-14)20(23,24)25/h3-6,8-10,18H,1-2,7,11-12H2.
What are the key properties of [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 399.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 46028989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).