[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol

C25H24F6N2O — CID 57258588

IUPAC[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
SMILESOC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1CCc1ccccc1
InChIInChI=1S/C25H24F6N2O/c26-24(27,28)19-10-6-9-17-18(15-21(25(29,30)31)32-22(17)19)23(34)20-11-4-5-13-33(20)14-12-16-7-2-1-3-8-16/h1-3,6-10,15,20,23,34H,4-5,11-14H2/t20-,23?/m1/s1
InChIKeyOHJAZRRVZDXANN-PPUHSXQSSA-N
MW482.47 g/mol
LogP6.40
Rot. Bonds5

About [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol

[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol (PubChem CID 57258588) has the molecular formula C25H24F6N2O and a molecular weight of 482.47 g/mol. Its IUPAC name is [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
PubChem CID57258588
Molecular FormulaC25H24F6N2O
Molecular Weight482.47 g/mol
Exact Mass482.18
IUPAC Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
SMILESOC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1CCc1ccccc1
InChIInChI=1S/C25H24F6N2O/c26-24(27,28)19-10-6-9-17-18(15-21(25(29,30)31)32-22(17)19)23(34)20-11-4-5-13-33(20)14-12-16-7-2-1-3-8-16/h1-3,6-10,15,20,23,34H,4-5,11-14H2/t20-,23?/m1/s1
InChIKeyOHJAZRRVZDXANN-PPUHSXQSSA-N
XLogP6.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,8-bis(trifluoromethyl)quinolin-4-yl]-(1-pentylpiperidin-2-yl)methanol
CID 126761882
benzyl 2-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]piperidine-1-carboxylate
CID 162534490
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methanol
CID 44519169
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-1-ium-2-yl]methanol
CID 24848226
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
CID 59084682
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844
[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(1-propylpiperidin-2-yl)propyl] acetate
CID 58160543
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[2-(cyclopropylamino)ethylamino]methanol
CID 71592319
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol
CID 71592220
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(cyclopentylamino)propan-2-ylamino]ethanol
CID 54577876

Frequently Asked Questions

What is the IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol?
The IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol (CID 57258588) is [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol?
The canonical SMILES for [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol is OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1CCc1ccccc1.
What is the InChIKey of [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol?
The InChIKey is OHJAZRRVZDXANN-PPUHSXQSSA-N. The full InChI is InChI=1S/C25H24F6N2O/c26-24(27,28)19-10-6-9-17-18(15-21(25(29,30)31)32-22(17)19)23(34)20-11-4-5-13-33(20)14-12-16-7-2-1-3-8-16/h1-3,6-10,15,20,23,34H,4-5,11-14H2/t20-,23?/m1/s1.
What are the key properties of [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol?
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol has a molecular weight of 482.47 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 57258588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).