1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

C26H31F6N3O — CID 46943271

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(CN3CCN(CC4CCNCC4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C26H31F6N3O/c27-25(28,29)24(36,26(30,31)32)23-7-5-22(6-8-23)21-3-1-19(2-4-21)17-34-13-15-35(16-14-34)18-20-9-11-33-12-10-20/h1-8,20,33,36H,9-18H2
InChIKeyQJYLABMTBITIDA-UHFFFAOYSA-N
MW515.54 g/mol
LogP4.78
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol (PubChem CID 46943271) has the molecular formula C26H31F6N3O and a molecular weight of 515.54 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
PubChem CID46943271
Molecular FormulaC26H31F6N3O
Molecular Weight515.54 g/mol
Exact Mass515.24
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(CN3CCN(CC4CCNCC4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C26H31F6N3O/c27-25(28,29)24(36,26(30,31)32)23-7-5-22(6-8-23)21-3-1-19(2-4-21)17-34-13-15-35(16-14-34)18-20-9-11-33-12-10-20/h1-8,20,33,36H,9-18H2
InChIKeyQJYLABMTBITIDA-UHFFFAOYSA-N
XLogP4.78
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol (CID 46943271) is 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol is OC(c1ccc(-c2ccc(CN3CCN(CC4CCNCC4)CC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol?
The InChIKey is QJYLABMTBITIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F6N3O/c27-25(28,29)24(36,26(30,31)32)23-7-5-22(6-8-23)21-3-1-19(2-4-21)17-34-13-15-35(16-14-34)18-20-9-11-33-12-10-20/h1-8,20,33,36H,9-18H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol has a molecular weight of 515.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 46943271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).