6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one

C19H16Cl2F3NO2 — CID 69081928

IUPAC6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
SMILESO=C1CCCC(c2c(Cl)cccc2Cl)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16Cl2F3NO2/c20-14-3-1-4-15(21)18(14)16-5-2-6-17(26)25(16)11-12-7-9-13(10-8-12)27-19(22,23)24/h1,3-4,7-10,16H,2,5-6,11H2
InChIKeyHTPVNCQWSJTLML-UHFFFAOYSA-N
MW418.24 g/mol
LogP6.15
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one

6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one (PubChem CID 69081928) has the molecular formula C19H16Cl2F3NO2 and a molecular weight of 418.24 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
PubChem CID69081928
Molecular FormulaC19H16Cl2F3NO2
Molecular Weight418.24 g/mol
Exact Mass417.05
IUPAC Name6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
SMILESO=C1CCCC(c2c(Cl)cccc2Cl)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16Cl2F3NO2/c20-14-3-1-4-15(21)18(14)16-5-2-6-17(26)25(16)11-12-7-9-13(10-8-12)27-19(22,23)24/h1,3-4,7-10,16H,2,5-6,11H2
InChIKeyHTPVNCQWSJTLML-UHFFFAOYSA-N
XLogP6.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.24
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one (CID 69081928) is 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one is O=C1CCCC(c2c(Cl)cccc2Cl)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one?
The InChIKey is HTPVNCQWSJTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3NO2/c20-14-3-1-4-15(21)18(14)16-5-2-6-17(26)25(16)11-12-7-9-13(10-8-12)27-19(22,23)24/h1,3-4,7-10,16H,2,5-6,11H2.
What are the key properties of 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one?
6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one has a molecular weight of 418.24 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 69081928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).