(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone

C20H19ClF3NO2 — CID 93223653

IUPAC(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H19ClF3NO2/c21-17-8-6-15(7-9-17)19(26)25-10-2-5-18(12-25)27-13-14-3-1-4-16(11-14)20(22,23)24/h1,3-4,6-9,11,18H,2,5,10,12-13H2/t18-/m0/s1
InChIKeyJUKYHUVQNYXFLX-SFHVURJKSA-N
MW397.82 g/mol
LogP5.18
Rot. Bonds4

About (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone

(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone (PubChem CID 93223653) has the molecular formula C20H19ClF3NO2 and a molecular weight of 397.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
PubChem CID93223653
Molecular FormulaC20H19ClF3NO2
Molecular Weight397.82 g/mol
Exact Mass397.11
IUPAC Name(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H19ClF3NO2/c21-17-8-6-15(7-9-17)19(26)25-10-2-5-18(12-25)27-13-14-3-1-4-16(11-14)20(22,23)24/h1,3-4,6-9,11,18H,2,5,10,12-13H2/t18-/m0/s1
InChIKeyJUKYHUVQNYXFLX-SFHVURJKSA-N
XLogP5.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.82
LogP ≤ 55.18
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
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223787
[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93223765
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
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-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028989
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028836
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone (CID 93223653) is (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The InChIKey is JUKYHUVQNYXFLX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19ClF3NO2/c21-17-8-6-15(7-9-17)19(26)25-10-2-5-18(12-25)27-13-14-3-1-4-16(11-14)20(22,23)24/h1,3-4,6-9,11,18H,2,5,10,12-13H2/t18-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone has a molecular weight of 397.82 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 93223653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).