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

C18H19F3N2O2 — CID 171272564

IUPAC4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
SMILESOc1ccc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)25-16-7-3-14(4-8-16)17(23-11-9-22-10-12-23)13-1-5-15(24)6-2-13/h1-8,17,22,24H,9-12H2/t17-/m1/s1
InChIKeyGEITXRYTRFLXRO-QGZVFWFLSA-N
MW352.36 g/mol
LogP3.29
Rot. Bonds4

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

4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol (PubChem CID 171272564) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
PubChem CID171272564
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
SMILESOc1ccc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)25-16-7-3-14(4-8-16)17(23-11-9-22-10-12-23)13-1-5-15(24)6-2-13/h1-8,17,22,24H,9-12H2/t17-/m1/s1
InChIKeyGEITXRYTRFLXRO-QGZVFWFLSA-N
XLogP3.29
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol with MolForge

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Related Compounds

1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
2-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,4-diol
CID 171287430
2,6-diiodo-4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171296503
4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;dihydrochloride
CID 171274039
1-[(S)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287926
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
3-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol;dihydrochloride
CID 171274700
2,6-ditert-butyl-4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272277
1-[(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275299
1-[(R)-thiophen-3-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180039

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol?
The IUPAC name of 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol (CID 171272564) is 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol.
What is the SMILES notation for 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol?
The canonical SMILES for 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol is Oc1ccc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1.
What is the InChIKey of 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol?
The InChIKey is GEITXRYTRFLXRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)25-16-7-3-14(4-8-16)17(23-11-9-22-10-12-23)13-1-5-15(24)6-2-13/h1-8,17,22,24H,9-12H2/t17-/m1/s1.
What are the key properties of 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol?
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol has a molecular weight of 352.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol is sourced from PubChem (CID 171272564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).