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

C26H27F4N3O — CID 164740269

IUPAC1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol
SMILESCc1cc(CN2CCN(Cc3ccncc3)CC2)ccc1-c1ccc(C(O)(F)C(F)(F)F)cc1
InChIInChI=1S/C26H27F4N3O/c1-19-16-21(18-33-14-12-32(13-15-33)17-20-8-10-31-11-9-20)2-7-24(19)22-3-5-23(6-4-22)25(27,34)26(28,29)30/h2-11,16,34H,12-15,17-18H2,1H3
InChIKeyJRMMHNBZFWLFBD-UHFFFAOYSA-N
MW473.51 g/mol
LogP5.05
Rot. Bonds6

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

1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol (PubChem CID 164740269) has the molecular formula C26H27F4N3O and a molecular weight of 473.51 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol
PubChem CID164740269
Molecular FormulaC26H27F4N3O
Molecular Weight473.51 g/mol
Exact Mass473.21
IUPAC Name1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol
SMILESCc1cc(CN2CCN(Cc3ccncc3)CC2)ccc1-c1ccc(C(O)(F)C(F)(F)F)cc1
InChIInChI=1S/C26H27F4N3O/c1-19-16-21(18-33-14-12-32(13-15-33)17-20-8-10-31-11-9-20)2-7-24(19)22-3-5-23(6-4-22)25(27,34)26(28,29)30/h2-11,16,34H,12-15,17-18H2,1H3
InChIKeyJRMMHNBZFWLFBD-UHFFFAOYSA-N
XLogP5.05
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol with MolForge

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Related Compounds

(2S)-1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylphenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid
CID 134465446
ethyl 2-[(2R)-4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylphenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
CID 134465492
2-[(2S)-4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]-3-methylphenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid
CID 165085969
2-aminoethyl 2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylphenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
CID 134465383
2-ethoxyethyl 2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methylphenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
CID 134465442
2-ethoxyethyl (2R)-4-[[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylate
CID 160583053
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
2-[3-propan-2-yloxy-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 71041166
1,2,2,2-tetrafluoro-1-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]ethanol
CID 126657723
1,1,1-trifluoro-2-[4-[2-methyl-4-[[8-[(2-methyl-4-pyridinyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]phenyl]phenyl]propan-2-ol
CID 160540351
1,1,1,3-tetrafluoro-2-[4-[4-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]phenyl]phenyl]propan-2-ol
CID 126657744
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol?
The IUPAC name of 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol (CID 164740269) is 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol is Cc1cc(CN2CCN(Cc3ccncc3)CC2)ccc1-c1ccc(C(O)(F)C(F)(F)F)cc1.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol?
The InChIKey is JRMMHNBZFWLFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F4N3O/c1-19-16-21(18-33-14-12-32(13-15-33)17-20-8-10-31-11-9-20)2-7-24(19)22-3-5-23(6-4-22)25(27,34)26(28,29)30/h2-11,16,34H,12-15,17-18H2,1H3.
What are the key properties of 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol?
1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol has a molecular weight of 473.51 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-[4-[2-methyl-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]ethanol is sourced from PubChem (CID 164740269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).