2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate

C161H152F39N17O10 — CID 159420708

IUPAC2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)cc1.Cc1cnccc1CN1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCN(Cc2ccncc2)CC1.OC(c1ccc(-c2ccc(CN3CCN(Cc4c(F)cncc4F)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)c(F)c2)cc1)(C(F)(F)F)C(F)(F)F.OCc1cc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)ccc1CN1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C29H28F6N2O3.C27H27F6N3O2.C27H27F6N3O.C26H23F8N3O.C26H24F7N3O.C26H23F6N3O2/c1-40-26(38)24-8-4-21(5-9-24)19-37-16-14-36(15-17-37)18-20-2-6-22(7-3-20)23-10-12-25(13-11-23)27(39,28(30,31)32)29(33,34)35;28-26(29,30)25(38,27(31,32)33)24-5-3-20(4-6-24)21-1-2-22(23(15-21)18-37)17-36-13-11-35(12-14-36)16-19-7-9-34-10-8-19;1-19-16-34-11-10-23(19)18-36-14-12-35(13-15-36)17-20-2-4-21(5-3-20)22-6-8-24(9-7-22)25(37,26(28,29)30)27(31,32)33;27-22-13-35-14-23(28)21(22)16-37-11-9-36(10-12-37)15-17-1-3-18(4-2-17)19-5-7-20(8-6-19)24(38,25(29,30)31)26(32,33)34;27-23-15-20(19-3-5-22(6-4-19)24(37,25(28,29)30)26(31,32)33)1-2-21(23)17-36-13-11-35(12-14-36)16-18-7-9-34-10-8-18;27-25(28,29)24(37,26(30,31)32)22-7-5-20(6-8-22)19-1-3-21(4-2-19)23(36)35-15-13-34(14-16-35)17-18-9-11-33-12-10-18/h2-13,39H,14-19H2,1H3;1-10,15,37-38H,11-14,16-18H2;2-11,16,37H,12-15,17-18H2,1H3;1-8,13-14,38H,9-12,15-16H2;1-10,15,37H,11-14,16-17H2;1-12,37H,13-17H2
InChIKeyLPSOQJQRRDOOCR-UHFFFAOYSA-N
MW3226.02 g/mol
LogP32.52
Rot. Bonds37

About 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate

2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate (PubChem CID 159420708) has the molecular formula C161H152F39N17O10 and a molecular weight of 3226.02 g/mol. Its IUPAC name is 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate.

Molecular Properties

Compound Name2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate
PubChem CID159420708
Molecular FormulaC161H152F39N17O10
Molecular Weight3226.02 g/mol
Exact Mass3224.13
IUPAC Name2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)cc1.Cc1cnccc1CN1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCN(Cc2ccncc2)CC1.OC(c1ccc(-c2ccc(CN3CCN(Cc4c(F)cncc4F)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)c(F)c2)cc1)(C(F)(F)F)C(F)(F)F.OCc1cc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)ccc1CN1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C29H28F6N2O3.C27H27F6N3O2.C27H27F6N3O.C26H23F8N3O.C26H24F7N3O.C26H23F6N3O2/c1-40-26(38)24-8-4-21(5-9-24)19-37-16-14-36(15-17-37)18-20-2-6-22(7-3-20)23-10-12-25(13-11-23)27(39,28(30,31)32)29(33,34)35;28-26(29,30)25(38,27(31,32)33)24-5-3-20(4-6-24)21-1-2-22(23(15-21)18-37)17-36-13-11-35(12-14-36)16-19-7-9-34-10-8-19;1-19-16-34-11-10-23(19)18-36-14-12-35(13-15-36)17-20-2-4-21(5-3-20)22-6-8-24(9-7-22)25(37,26(28,29)30)27(31,32)33;27-22-13-35-14-23(28)21(22)16-37-11-9-36(10-12-37)15-17-1-3-18(4-2-17)19-5-7-20(8-6-19)24(38,25(29,30)31)26(32,33)34;27-23-15-20(19-3-5-22(6-4-19)24(37,25(28,29)30)26(31,32)33)1-2-21(23)17-36-13-11-35(12-14-36)16-18-7-9-34-10-8-18;27-25(28,29)24(37,26(30,31)32)22-7-5-20(6-8-22)19-1-3-21(4-2-19)23(36)35-15-13-34(14-16-35)17-18-9-11-33-12-10-18/h2-13,39H,14-19H2,1H3;1-10,15,37-38H,11-14,16-18H2;2-11,16,37H,12-15,17-18H2,1H3;1-8,13-14,38H,9-12,15-16H2;1-10,15,37H,11-14,16-17H2;1-12,37H,13-17H2
InChIKeyLPSOQJQRRDOOCR-UHFFFAOYSA-N
XLogP32.52
TPSA288.31 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms227
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003226.02
LogP ≤ 532.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate?
The IUPAC name of 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate (CID 159420708) is 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate.
What is the SMILES notation for 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate?
The canonical SMILES for 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)cc1.Cc1cnccc1CN1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1ccc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1)N1CCN(Cc2ccncc2)CC1.OC(c1ccc(-c2ccc(CN3CCN(Cc4c(F)cncc4F)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.OC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)c(F)c2)cc1)(C(F)(F)F)C(F)(F)F.OCc1cc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)ccc1CN1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate?
The InChIKey is LPSOQJQRRDOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F6N2O3.C27H27F6N3O2.C27H27F6N3O.C26H23F8N3O.C26H24F7N3O.C26H23F6N3O2/c1-40-26(38)24-8-4-21(5-9-24)19-37-16-14-36(15-17-37)18-20-2-6-22(7-3-20)23-10-12-25(13-11-23)27(39,28(30,31)32)29(33,34)35;28-26(29,30)25(38,27(31,32)33)24-5-3-20(4-6-24)21-1-2-22(23(15-21)18-37)17-36-13-11-35(12-14-36)16-19-7-9-34-10-8-19;1-19-16-34-11-10-23(19)18-36-14-12-35(13-15-36)17-20-2-4-21(5-3-20)22-6-8-24(9-7-22)25(37,26(28,29)30)27(31,32)33;27-22-13-35-14-23(28)21(22)16-37-11-9-36(10-12-37)15-17-1-3-18(4-2-17)19-5-7-20(8-6-19)24(38,25(29,30)31)26(32,33)34;27-23-15-20(19-3-5-22(6-4-19)24(37,25(28,29)30)26(31,32)33)1-2-21(23)17-36-13-11-35(12-14-36)16-18-7-9-34-10-8-18;27-25(28,29)24(37,26(30,31)32)22-7-5-20(6-8-22)19-1-3-21(4-2-19)23(36)35-15-13-34(14-16-35)17-18-9-11-33-12-10-18/h2-13,39H,14-19H2,1H3;1-10,15,37-38H,11-14,16-18H2;2-11,16,37H,12-15,17-18H2,1H3;1-8,13-14,38H,9-12,15-16H2;1-10,15,37H,11-14,16-17H2;1-12,37H,13-17H2.
What are the key properties of 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate?
2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate has a molecular weight of 3226.02 g/mol, XLogP of 32.52, 37 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate is sourced from PubChem (CID 159420708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).