[4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C113H118ClF18N11O5 — CID 159946785

IUPAC[4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cn1.Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)c1.Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(Cl)ccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C23H22F6N2O.2C23H25F3N2O.C22H22ClF3N2O.C22H24F3N3O/c1-14-2-4-15(5-3-14)17-13-18(17)21(32)31-10-8-30(9-11-31)20-12-16(22(24,25)26)6-7-19(20)23(27,28)29;1-15-3-6-17(7-4-15)19-14-20(19)22(29)28-11-9-27(10-12-28)21-13-18(23(24,25)26)8-5-16(21)2;1-15-4-3-5-17(12-15)19-14-20(19)22(29)28-10-8-27(9-11-28)21-13-18(23(24,25)26)7-6-16(21)2;1-14-3-2-4-15(11-14)17-13-18(17)21(29)28-9-7-27(8-10-28)20-12-16(23)5-6-19(20)22(24,25)26;1-14-3-6-17(22(23,24)25)11-20(14)27-7-9-28(10-8-27)21(29)19-12-18(19)16-5-4-15(2)26-13-16/h2-7,12,17-18H,8-11,13H2,1H3;3-8,13,19-20H,9-12,14H2,1-2H3;3-7,12-13,19-20H,8-11,14H2,1-2H3;2-6,11-12,17-18H,7-10,13H2,1H3;3-6,11,13,18-19H,7-10,12H2,1-2H3/t17-,18-;2*19-,20-;17-,18-;18-,19-/m10111/s1
InChIKeyOBOZYEYNHYSYPZ-GMKGKRQUSA-N
MW2087.68 g/mol
LogP24.32
Rot. Bonds15

About [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 159946785) has the molecular formula C113H118ClF18N11O5 and a molecular weight of 2087.68 g/mol. Its IUPAC name is [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID159946785
Molecular FormulaC113H118ClF18N11O5
Molecular Weight2087.68 g/mol
Exact Mass2085.87
IUPAC Name[4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cn1.Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)c1.Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(Cl)ccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C23H22F6N2O.2C23H25F3N2O.C22H22ClF3N2O.C22H24F3N3O/c1-14-2-4-15(5-3-14)17-13-18(17)21(32)31-10-8-30(9-11-31)20-12-16(22(24,25)26)6-7-19(20)23(27,28)29;1-15-3-6-17(7-4-15)19-14-20(19)22(29)28-11-9-27(10-12-28)21-13-18(23(24,25)26)8-5-16(21)2;1-15-4-3-5-17(12-15)19-14-20(19)22(29)28-10-8-27(9-11-28)21-13-18(23(24,25)26)7-6-16(21)2;1-14-3-2-4-15(11-14)17-13-18(17)21(29)28-9-7-27(8-10-28)20-12-16(23)5-6-19(20)22(24,25)26;1-14-3-6-17(22(23,24)25)11-20(14)27-7-9-28(10-8-27)21(29)19-12-18(19)16-5-4-15(2)26-13-16/h2-7,12,17-18H,8-11,13H2,1H3;3-8,13,19-20H,9-12,14H2,1-2H3;3-7,12-13,19-20H,8-11,14H2,1-2H3;2-6,11-12,17-18H,7-10,13H2,1H3;3-6,11,13,18-19H,7-10,12H2,1-2H3/t17-,18-;2*19-,20-;17-,18-;18-,19-/m10111/s1
InChIKeyOBOZYEYNHYSYPZ-GMKGKRQUSA-N
XLogP24.32
TPSA130.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.68
LogP ≤ 524.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 159946785) is [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C(F)(F)F)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cn1.Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)c1.Cc1cccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(Cl)ccc3C(F)(F)F)CC2)c1.
What is the InChIKey of [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is OBOZYEYNHYSYPZ-GMKGKRQUSA-N. The full InChI is InChI=1S/C23H22F6N2O.2C23H25F3N2O.C22H22ClF3N2O.C22H24F3N3O/c1-14-2-4-15(5-3-14)17-13-18(17)21(32)31-10-8-30(9-11-31)20-12-16(22(24,25)26)6-7-19(20)23(27,28)29;1-15-3-6-17(7-4-15)19-14-20(19)22(29)28-11-9-27(10-12-28)21-13-18(23(24,25)26)8-5-16(21)2;1-15-4-3-5-17(12-15)19-14-20(19)22(29)28-10-8-27(9-11-28)21-13-18(23(24,25)26)7-6-16(21)2;1-14-3-2-4-15(11-14)17-13-18(17)21(29)28-9-7-27(8-10-28)20-12-16(23)5-6-19(20)22(24,25)26;1-14-3-6-17(22(23,24)25)11-20(14)27-7-9-28(10-8-27)21(29)19-12-18(19)16-5-4-15(2)26-13-16/h2-7,12,17-18H,8-11,13H2,1H3;3-8,13,19-20H,9-12,14H2,1-2H3;3-7,12-13,19-20H,8-11,14H2,1-2H3;2-6,11-12,17-18H,7-10,13H2,1H3;3-6,11,13,18-19H,7-10,12H2,1-2H3/t17-,18-;2*19-,20-;17-,18-;18-,19-/m10111/s1.
What are the key properties of [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 2087.68 g/mol, XLogP of 24.32, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(3-methylphenyl)cyclopropyl]methanone;[(1R,2S)-2-(3-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 159946785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).