7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol

C22H22F3N2O+ — CID 6988629

IUPAC7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
SMILESOc1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCCC2)ccc2cccnc12
InChIInChI=1S/C22H21F3N2O/c23-22(24,25)17-9-6-16(7-10-17)20(27-13-2-1-3-14-27)18-11-8-15-5-4-12-26-19(15)21(18)28/h4-12,20,28H,1-3,13-14H2/p+1/t20-/m1/s1
InChIKeyLQWNWLCRLWPUPR-HXUWFJFHSA-O
MW387.43 g/mol
LogP4.12
Rot. Bonds3

About 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol

7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol (PubChem CID 6988629) has the molecular formula C22H22F3N2O+ and a molecular weight of 387.43 g/mol. Its IUPAC name is 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
PubChem CID6988629
Molecular FormulaC22H22F3N2O+
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
SMILESOc1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCCC2)ccc2cccnc12
InChIInChI=1S/C22H21F3N2O/c23-22(24,25)17-9-6-16(7-10-17)20(27-13-2-1-3-14-27)18-11-8-15-5-4-12-26-19(15)21(18)28/h4-12,20,28H,1-3,13-14H2/p+1/t20-/m1/s1
InChIKeyLQWNWLCRLWPUPR-HXUWFJFHSA-O
XLogP4.12
TPSA37.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-[(R)-piperidin-1-ium-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
CID 7122108
7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7565070
7-[piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 5092864
7-[(R)-(3-hydroxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-ol
CID 6920074
7-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-ylmethyl]quinolin-8-ol
CID 6920079
7-[(R)-(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7122140
7-[1-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]quinolin-8-ol
CID 58542713
7-[2-(4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
CID 58542726
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
CID 58542907
7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7025586
7-[2-(5-chloro-4-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
CID 58543119
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol?
The IUPAC name of 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol (CID 6988629) is 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol is Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCCC2)ccc2cccnc12.
What is the InChIKey of 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol?
The InChIKey is LQWNWLCRLWPUPR-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H21F3N2O/c23-22(24,25)17-9-6-16(7-10-17)20(27-13-2-1-3-14-27)18-11-8-15-5-4-12-26-19(15)21(18)28/h4-12,20,28H,1-3,13-14H2/p+1/t20-/m1/s1.
What are the key properties of 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol?
7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol has a molecular weight of 387.43 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol is sourced from PubChem (CID 6988629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).