5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol

C21H20F3N3O — CID 171541715

IUPAC5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc12
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)16-4-6-17(7-5-16)27-12-10-26(11-13-27)14-15-3-8-19(28)20-18(15)2-1-9-25-20/h1-9,28H,10-14H2
InChIKeyVCXBXXBHYXTLER-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.28
Rot. Bonds3

About 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol

5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 171541715) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID171541715
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc12
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)16-4-6-17(7-5-16)27-12-10-26(11-13-27)14-15-3-8-19(28)20-18(15)2-1-9-25-20/h1-9,28H,10-14H2
InChIKeyVCXBXXBHYXTLER-UHFFFAOYSA-N
XLogP4.28
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
CID 142849611
(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 71515448
tert-butyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate;bis(2,2,2-trifluoroacetic acid)
CID 46742371
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194
7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541814
8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 171541804
5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]quinolin-8-ol
CID 71678902
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 171716551
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol (CID 171541715) is 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol is Oc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc12.
What is the InChIKey of 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is VCXBXXBHYXTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c22-21(23,24)16-4-6-17(7-5-16)27-12-10-26(11-13-27)14-15-3-8-19(28)20-18(15)2-1-9-25-20/h1-9,28H,10-14H2.
What are the key properties of 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol?
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 387.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 171541715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).