(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone

C20H19F4NO3 — CID 42844185

IUPAC(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(OCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C20H19F4NO3/c21-18-6-2-1-5-17(18)19(26)25-11-3-4-16(12-25)27-13-14-7-9-15(10-8-14)28-20(22,23)24/h1-2,5-10,16H,3-4,11-13H2
InChIKeyWCMJTUVEGDLANX-UHFFFAOYSA-N
MW397.37 g/mol
LogP4.55
Rot. Bonds5

About (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone

(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone (PubChem CID 42844185) has the molecular formula C20H19F4NO3 and a molecular weight of 397.37 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
PubChem CID42844185
Molecular FormulaC20H19F4NO3
Molecular Weight397.37 g/mol
Exact Mass397.13
IUPAC Name(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(OCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C20H19F4NO3/c21-18-6-2-1-5-17(18)19(26)25-11-3-4-16(12-25)27-13-14-7-9-15(10-8-14)28-20(22,23)24/h1-2,5-10,16H,3-4,11-13H2
InChIKeyWCMJTUVEGDLANX-UHFFFAOYSA-N
XLogP4.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
(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-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 78880225
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223787
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
[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone
CID 46028831
(3-bromophenyl)-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 46029037
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone (CID 42844185) is (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCCC(OCc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone?
The InChIKey is WCMJTUVEGDLANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4NO3/c21-18-6-2-1-5-17(18)19(26)25-11-3-4-16(12-25)27-13-14-7-9-15(10-8-14)28-20(22,23)24/h1-2,5-10,16H,3-4,11-13H2.
What are the key properties of (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone has a molecular weight of 397.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 42844185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).