2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline

C22H21F3N2O — CID 16812558

IUPAC2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline
SMILESFC(F)(F)c1cccc(COc2cccc3ccc(N4CCCCC4)nc23)c1
InChIInChI=1S/C22H21F3N2O/c23-22(24,25)18-8-4-6-16(14-18)15-28-19-9-5-7-17-10-11-20(26-21(17)19)27-12-2-1-3-13-27/h4-11,14H,1-3,12-13,15H2
InChIKeyMRFWKKSCKPTILQ-UHFFFAOYSA-N
MW386.42 g/mol
LogP5.82
Rot. Bonds4

About 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline

2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline (PubChem CID 16812558) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline.

Molecular Properties

Compound Name2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline
PubChem CID16812558
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline
SMILESFC(F)(F)c1cccc(COc2cccc3ccc(N4CCCCC4)nc23)c1
InChIInChI=1S/C22H21F3N2O/c23-22(24,25)18-8-4-6-16(14-18)15-28-19-9-5-7-17-10-11-20(26-21(17)19)27-12-2-1-3-13-27/h4-11,14H,1-3,12-13,15H2
InChIKeyMRFWKKSCKPTILQ-UHFFFAOYSA-N
XLogP5.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27555622
1-[8-[(3-methylphenyl)methoxy]quinolin-2-yl]piperidine-4-carboxamide
CID 18570691
2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
CID 67980760
N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570656
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-piperidin-1-ylquinolin-8-amine
CID 105484956
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline?
The IUPAC name of 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline (CID 16812558) is 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline.
What is the SMILES notation for 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline?
The canonical SMILES for 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline is FC(F)(F)c1cccc(COc2cccc3ccc(N4CCCCC4)nc23)c1.
What is the InChIKey of 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline?
The InChIKey is MRFWKKSCKPTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O/c23-22(24,25)18-8-4-6-16(14-18)15-28-19-9-5-7-17-10-11-20(26-21(17)19)27-12-2-1-3-13-27/h4-11,14H,1-3,12-13,15H2.
What are the key properties of 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline?
2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline has a molecular weight of 386.42 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-8-[[3-(trifluoromethyl)phenyl]methoxy]quinoline is sourced from PubChem (CID 16812558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).