6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol

C22H21F3N2O2 — CID 136653792

IUPAC6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol
SMILESOc1c(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc2ncccc12
InChIInChI=1S/C22H21F3N2O2/c23-22(24,25)29-17-5-3-15(4-6-17)14-16-9-12-27(13-10-16)20-8-7-19-18(21(20)28)2-1-11-26-19/h1-8,11,16,28H,9-10,12-14H2
InChIKeyGFNBBPXLAFRBPX-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.30
Rot. Bonds4

About 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol

6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol (PubChem CID 136653792) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol.

Molecular Properties

Compound Name6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol
PubChem CID136653792
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol
SMILESOc1c(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc2ncccc12
InChIInChI=1S/C22H21F3N2O2/c23-22(24,25)29-17-5-3-15(4-6-17)14-16-9-12-27(13-10-16)20-8-7-19-18(21(20)28)2-1-11-26-19/h1-8,11,16,28H,9-10,12-14H2
InChIKeyGFNBBPXLAFRBPX-UHFFFAOYSA-N
XLogP5.30
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine;4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]phenol
CID 158919726
5-nitro-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]quinoline
CID 55832458
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358886
2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-f]quinoline
CID 134126952
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine
CID 141113382
4-[4-[6-[4-(trifluoromethoxy)phenyl]hexyl]piperidin-1-yl]-1,3-benzothiazole
CID 174498448
N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 64505434
2-[1-(5-aminoquinolin-6-yl)piperidin-4-yl]oxyethanol
CID 82011421
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
CID 23081158
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol?
The IUPAC name of 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol (CID 136653792) is 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol.
What is the SMILES notation for 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol?
The canonical SMILES for 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol is Oc1c(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc2ncccc12.
What is the InChIKey of 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol?
The InChIKey is GFNBBPXLAFRBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c23-22(24,25)29-17-5-3-15(4-6-17)14-16-9-12-27(13-10-16)20-8-7-19-18(21(20)28)2-1-11-26-19/h1-8,11,16,28H,9-10,12-14H2.
What are the key properties of 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol?
6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol has a molecular weight of 402.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]quinolin-5-ol is sourced from PubChem (CID 136653792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).