2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole

C25H24F6N2OS — CID 54525998

IUPAC2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CN2CCCC[C@@]2(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)n1
InChIInChI=1S/C25H24F6N2OS/c1-17-16-35-22(32-17)14-33-10-6-5-9-23(33,19-7-3-2-4-8-19)34-15-18-11-20(24(26,27)28)13-21(12-18)25(29,30)31/h2-4,7-8,11-13,16H,5-6,9-10,14-15H2,1H3/t23-/m1/s1
InChIKeyYTDRJIYRUXIYLO-HSZRJFAPSA-N
MW514.54 g/mol
LogP7.54
Rot. Bonds6

About 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole

2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 54525998) has the molecular formula C25H24F6N2OS and a molecular weight of 514.54 g/mol. Its IUPAC name is 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID54525998
Molecular FormulaC25H24F6N2OS
Molecular Weight514.54 g/mol
Exact Mass514.15
IUPAC Name2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CN2CCCC[C@@]2(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)n1
InChIInChI=1S/C25H24F6N2OS/c1-17-16-35-22(32-17)14-33-10-6-5-9-23(33,19-7-3-2-4-8-19)34-15-18-11-20(24(26,27)28)13-21(12-18)25(29,30)31/h2-4,7-8,11-13,16H,5-6,9-10,14-15H2,1H3/t23-/m1/s1
InChIKeyYTDRJIYRUXIYLO-HSZRJFAPSA-N
XLogP7.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.54
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 54525998) is 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1csc(CN2CCCC[C@@]2(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)n1.
What is the InChIKey of 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is YTDRJIYRUXIYLO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24F6N2OS/c1-17-16-35-22(32-17)14-33-10-6-5-9-23(33,19-7-3-2-4-8-19)34-15-18-11-20(24(26,27)28)13-21(12-18)25(29,30)31/h2-4,7-8,11-13,16H,5-6,9-10,14-15H2,1H3/t23-/m1/s1.
What are the key properties of 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 514.54 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 54525998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).