2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol

C18H19F3N2O2 — CID 23081158

IUPAC2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)25-15-7-5-14(6-8-15)13-22-9-11-23(12-10-22)16-3-1-2-4-17(16)24/h1-8,24H,9-13H2
InChIKeyWTUXREJJODHTGK-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.61
Rot. Bonds4

About 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol

2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol (PubChem CID 23081158) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
PubChem CID23081158
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)25-15-7-5-14(6-8-15)13-22-9-11-23(12-10-22)16-3-1-2-4-17(16)24/h1-8,24H,9-13H2
InChIKeyWTUXREJJODHTGK-UHFFFAOYSA-N
XLogP3.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 2845250
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
CID 27156309
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetonitrile
CID 51078356
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 35161586
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
1-(2-fluoro-4-pyridinyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 175651707
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 55598245

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol (CID 23081158) is 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol?
The InChIKey is WTUXREJJODHTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)25-15-7-5-14(6-8-15)13-22-9-11-23(12-10-22)16-3-1-2-4-17(16)24/h1-8,24H,9-13H2.
What are the key properties of 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol?
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol has a molecular weight of 352.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 23081158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).