3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one

C140H146F20N4O6 — CID 90787835

IUPAC3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3cc(F)cc(C(F)(F)F)c3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(Oc4ccc(F)cc4)cc3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc4ccccc4c3)C2)c1
InChIInChI=1S/C38H39F4NO2.C36H38F3NO.C33H34F7NO.C33H35F6NO2/c1-25(2)19-37(26(3)44)32-21-30(28-8-10-33(11-9-28)38(40,41)42)20-31(22-32)29-5-4-18-43(24-29)23-27-6-14-35(15-7-27)45-36-16-12-34(39)13-17-36;1-24(2)17-35(25(3)41)33-20-31(28-12-14-34(15-13-28)36(37,38)39)19-32(21-33)30-9-6-16-40(23-30)22-26-10-11-27-7-4-5-8-29(27)18-26;1-20(2)11-31(21(3)42)27-15-25(23-6-8-28(9-7-23)32(35,36)37)14-26(16-27)24-5-4-10-41(19-24)18-22-12-29(33(38,39)40)17-30(34)13-22;1-21(2)15-31(22(3)41)28-17-26(24-8-10-29(11-9-24)32(34,35)36)16-27(18-28)25-5-4-14-40(20-25)19-23-6-12-30(13-7-23)42-33(37,38)39/h6-17,20-22,25,29,37H,4-5,18-19,23-24H2,1-3H3;4-5,7-8,10-15,18-21,24,30,35H,6,9,16-17,22-23H2,1-3H3;6-9,12-17,20,24,31H,4-5,10-11,18-19H2,1-3H3;6-13,16-18,21,25,31H,4-5,14-15,19-20H2,1-3H3
InChIKeyBESCXEGKTBNVIM-UHFFFAOYSA-N
MW2360.69 g/mol
LogP39.02
Rot. Bonds35

About 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one

3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one (PubChem CID 90787835) has the molecular formula C140H146F20N4O6 and a molecular weight of 2360.69 g/mol. Its IUPAC name is 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one.

Molecular Properties

Compound Name3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one
PubChem CID90787835
Molecular FormulaC140H146F20N4O6
Molecular Weight2360.69 g/mol
Exact Mass2359.09
IUPAC Name3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3cc(F)cc(C(F)(F)F)c3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(Oc4ccc(F)cc4)cc3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc4ccccc4c3)C2)c1
InChIInChI=1S/C38H39F4NO2.C36H38F3NO.C33H34F7NO.C33H35F6NO2/c1-25(2)19-37(26(3)44)32-21-30(28-8-10-33(11-9-28)38(40,41)42)20-31(22-32)29-5-4-18-43(24-29)23-27-6-14-35(15-7-27)45-36-16-12-34(39)13-17-36;1-24(2)17-35(25(3)41)33-20-31(28-12-14-34(15-13-28)36(37,38)39)19-32(21-33)30-9-6-16-40(23-30)22-26-10-11-27-7-4-5-8-29(27)18-26;1-20(2)11-31(21(3)42)27-15-25(23-6-8-28(9-7-23)32(35,36)37)14-26(16-27)24-5-4-10-41(19-24)18-22-12-29(33(38,39)40)17-30(34)13-22;1-21(2)15-31(22(3)41)28-17-26(24-8-10-29(11-9-24)32(34,35)36)16-27(18-28)25-5-4-14-40(20-25)19-23-6-12-30(13-7-23)42-33(37,38)39/h6-17,20-22,25,29,37H,4-5,18-19,23-24H2,1-3H3;4-5,7-8,10-15,18-21,24,30,35H,6,9,16-17,22-23H2,1-3H3;6-9,12-17,20,24,31H,4-5,10-11,18-19H2,1-3H3;6-13,16-18,21,25,31H,4-5,14-15,19-20H2,1-3H3
InChIKeyBESCXEGKTBNVIM-UHFFFAOYSA-N
XLogP39.02
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds35
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002360.69
LogP ≤ 539.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one?
The IUPAC name of 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one (CID 90787835) is 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one.
What is the SMILES notation for 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one?
The canonical SMILES for 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one is CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3cc(F)cc(C(F)(F)F)c3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc(Oc4ccc(F)cc4)cc3)C2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3ccc4ccccc4c3)C2)c1.
What is the InChIKey of 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one?
The InChIKey is BESCXEGKTBNVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39F4NO2.C36H38F3NO.C33H34F7NO.C33H35F6NO2/c1-25(2)19-37(26(3)44)32-21-30(28-8-10-33(11-9-28)38(40,41)42)20-31(22-32)29-5-4-18-43(24-29)23-27-6-14-35(15-7-27)45-36-16-12-34(39)13-17-36;1-24(2)17-35(25(3)41)33-20-31(28-12-14-34(15-13-28)36(37,38)39)19-32(21-33)30-9-6-16-40(23-30)22-26-10-11-27-7-4-5-8-29(27)18-26;1-20(2)11-31(21(3)42)27-15-25(23-6-8-28(9-7-23)32(35,36)37)14-26(16-27)24-5-4-10-41(19-24)18-22-12-29(33(38,39)40)17-30(34)13-22;1-21(2)15-31(22(3)41)28-17-26(24-8-10-29(11-9-24)32(34,35)36)16-27(18-28)25-5-4-14-40(20-25)19-23-6-12-30(13-7-23)42-33(37,38)39/h6-17,20-22,25,29,37H,4-5,18-19,23-24H2,1-3H3;4-5,7-8,10-15,18-21,24,30,35H,6,9,16-17,22-23H2,1-3H3;6-9,12-17,20,24,31H,4-5,10-11,18-19H2,1-3H3;6-13,16-18,21,25,31H,4-5,14-15,19-20H2,1-3H3.
What are the key properties of 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one?
3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one has a molecular weight of 2360.69 g/mol, XLogP of 39.02, 35 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[[4-(4-fluorophenoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one is sourced from PubChem (CID 90787835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).