1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol

C24H26F4N4O — CID 126657723

IUPAC1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol
SMILESCn1cnc(CN2CCN(Cc3ccc(-c4ccc(C(O)(F)C(F)(F)F)cc4)cc3)CC2)c1
InChIInChI=1S/C24H26F4N4O/c1-30-15-22(29-17-30)16-32-12-10-31(11-13-32)14-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(25,33)24(26,27)28/h2-9,15,17,33H,10-14,16H2,1H3
InChIKeyRRGWBAOUFRNENC-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.08
Rot. Bonds6

About 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol

1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol (PubChem CID 126657723) has the molecular formula C24H26F4N4O and a molecular weight of 462.49 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol
PubChem CID126657723
Molecular FormulaC24H26F4N4O
Molecular Weight462.49 g/mol
Exact Mass462.20
IUPAC Name1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol
SMILESCn1cnc(CN2CCN(Cc3ccc(-c4ccc(C(O)(F)C(F)(F)F)cc4)cc3)CC2)c1
InChIInChI=1S/C24H26F4N4O/c1-30-15-22(29-17-30)16-32-12-10-31(11-13-32)14-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(25,33)24(26,27)28/h2-9,15,17,33H,10-14,16H2,1H3
InChIKeyRRGWBAOUFRNENC-UHFFFAOYSA-N
XLogP4.08
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol
CID 164740269
2-[4-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 46829260
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 51035448
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 53239823
2-[4-[4-[[4-[(2-bromo-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71471240
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
CID 89215764
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
CID 89215723
1,1,1,3-tetrafluoro-2-[4-[4-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]phenyl]phenyl]propan-2-ol
CID 126657744
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperazin-1-ylmethyl)phenyl]phenyl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 46829283
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
2-[4-[4-[[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2,2-trifluoroacetic acid
CID 46891657

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol?
The IUPAC name of 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol (CID 126657723) is 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol is Cn1cnc(CN2CCN(Cc3ccc(-c4ccc(C(O)(F)C(F)(F)F)cc4)cc3)CC2)c1.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol?
The InChIKey is RRGWBAOUFRNENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N4O/c1-30-15-22(29-17-30)16-32-12-10-31(11-13-32)14-18-2-4-19(5-3-18)20-6-8-21(9-7-20)23(25,33)24(26,27)28/h2-9,15,17,33H,10-14,16H2,1H3.
What are the key properties of 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol?
1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol has a molecular weight of 462.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol is sourced from PubChem (CID 126657723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).