3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one

C119H131F23N4O5 — CID 91085403

IUPAC3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCC(C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCC(C)N2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCC(F)(F)CC2)c1.COc1ccc(CN2C(c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(CC(C)C)C(C)=O)c3)CCCC2C(F)(F)F)cc1
InChIInChI=1S/C34H34F9NO.C34H37F6NO2.C26H32F3NO.C25H28F5NO/c1-20(2)15-29(21(3)45)25-16-24(23-9-13-28(14-10-23)33(38,39)40)17-26(18-25)30-5-4-6-31(34(41,42)43)44(30)19-22-7-11-27(12-8-22)32(35,36)37;1-21(2)16-30(22(3)42)26-17-25(24-10-12-28(13-11-24)33(35,36)37)18-27(19-26)31-6-5-7-32(34(38,39)40)41(31)20-23-8-14-29(43-4)15-9-23;1-16(2)12-24(18(4)31)21-13-20(19-8-10-23(11-9-19)26(27,28)29)14-22(15-21)25-7-5-6-17(3)30-25;1-16(2)12-23(17(3)32)20-13-19(18-4-6-21(7-5-18)25(28,29)30)14-22(15-20)31-10-8-24(26,27)9-11-31/h7-14,16-18,20,29-31H,4-6,15,19H2,1-3H3;8-15,17-19,21,30-32H,5-7,16,20H2,1-4H3;8-11,13-17,24-25,30H,5-7,12H2,1-4H3;4-7,13-16,23H,8-12H2,1-3H3
InChIKeyZAOKCNSBRVLGTG-UHFFFAOYSA-N
MW2134.33 g/mol
LogP35.15
Rot. Bonds29

About 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one

3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one (PubChem CID 91085403) has the molecular formula C119H131F23N4O5 and a molecular weight of 2134.33 g/mol. Its IUPAC name is 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one.

Molecular Properties

Compound Name3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one
PubChem CID91085403
Molecular FormulaC119H131F23N4O5
Molecular Weight2134.33 g/mol
Exact Mass2132.98
IUPAC Name3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCC(C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCC(C)N2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCC(F)(F)CC2)c1.COc1ccc(CN2C(c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(CC(C)C)C(C)=O)c3)CCCC2C(F)(F)F)cc1
InChIInChI=1S/C34H34F9NO.C34H37F6NO2.C26H32F3NO.C25H28F5NO/c1-20(2)15-29(21(3)45)25-16-24(23-9-13-28(14-10-23)33(38,39)40)17-26(18-25)30-5-4-6-31(34(41,42)43)44(30)19-22-7-11-27(12-8-22)32(35,36)37;1-21(2)16-30(22(3)42)26-17-25(24-10-12-28(13-11-24)33(35,36)37)18-27(19-26)31-6-5-7-32(34(38,39)40)41(31)20-23-8-14-29(43-4)15-9-23;1-16(2)12-24(18(4)31)21-13-20(19-8-10-23(11-9-19)26(27,28)29)14-22(15-21)25-7-5-6-17(3)30-25;1-16(2)12-23(17(3)32)20-13-19(18-4-6-21(7-5-18)25(28,29)30)14-22(15-20)31-10-8-24(26,27)9-11-31/h7-14,16-18,20,29-31H,4-6,15,19H2,1-3H3;8-15,17-19,21,30-32H,5-7,16,20H2,1-4H3;8-11,13-17,24-25,30H,5-7,12H2,1-4H3;4-7,13-16,23H,8-12H2,1-3H3
InChIKeyZAOKCNSBRVLGTG-UHFFFAOYSA-N
XLogP35.15
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms151
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002134.33
LogP ≤ 535.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one?
The IUPAC name of 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one (CID 91085403) is 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one.
What is the SMILES notation for 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one?
The canonical SMILES for 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one is CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCC(C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCC(C)N2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCC(F)(F)CC2)c1.COc1ccc(CN2C(c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(CC(C)C)C(C)=O)c3)CCCC2C(F)(F)F)cc1.
What is the InChIKey of 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one?
The InChIKey is ZAOKCNSBRVLGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F9NO.C34H37F6NO2.C26H32F3NO.C25H28F5NO/c1-20(2)15-29(21(3)45)25-16-24(23-9-13-28(14-10-23)33(38,39)40)17-26(18-25)30-5-4-6-31(34(41,42)43)44(30)19-22-7-11-27(12-8-22)32(35,36)37;1-21(2)16-30(22(3)42)26-17-25(24-10-12-28(13-11-24)33(35,36)37)18-27(19-26)31-6-5-7-32(34(38,39)40)41(31)20-23-8-14-29(43-4)15-9-23;1-16(2)12-24(18(4)31)21-13-20(19-8-10-23(11-9-19)26(27,28)29)14-22(15-21)25-7-5-6-17(3)30-25;1-16(2)12-23(17(3)32)20-13-19(18-4-6-21(7-5-18)25(28,29)30)14-22(15-20)31-10-8-24(26,27)9-11-31/h7-14,16-18,20,29-31H,4-6,15,19H2,1-3H3;8-15,17-19,21,30-32H,5-7,16,20H2,1-4H3;8-11,13-17,24-25,30H,5-7,12H2,1-4H3;4-7,13-16,23H,8-12H2,1-3H3.
What are the key properties of 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one?
3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one has a molecular weight of 2134.33 g/mol, XLogP of 35.15, 29 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one is sourced from PubChem (CID 91085403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).