2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine

C50H51F6N5O3 — CID 143618652

IUPAC2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)n2)cc1.FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(-c2ccncc2)c1
InChIInChI=1S/C26H27F3N2O2.C24H24F3N3O/c1-32-23-9-7-19(8-10-23)24-16-21(26(27,28)29)15-22(31-24)17-33-18-25(11-13-30-14-12-25)20-5-3-2-4-6-20;25-24(26,27)20-14-21(30-22(15-20)18-6-10-28-11-7-18)16-31-17-23(8-12-29-13-9-23)19-4-2-1-3-5-19/h2-10,15-16,30H,11-14,17-18H2,1H3;1-7,10-11,14-15,29H,8-9,12-13,16-17H2
InChIKeyLGAWYIOYORJFCP-UHFFFAOYSA-N
MW883.98 g/mol
LogP10.61
Rot. Bonds13

About 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine

2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine (PubChem CID 143618652) has the molecular formula C50H51F6N5O3 and a molecular weight of 883.98 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
PubChem CID143618652
Molecular FormulaC50H51F6N5O3
Molecular Weight883.98 g/mol
Exact Mass883.39
IUPAC Name2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)n2)cc1.FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(-c2ccncc2)c1
InChIInChI=1S/C26H27F3N2O2.C24H24F3N3O/c1-32-23-9-7-19(8-10-23)24-16-21(26(27,28)29)15-22(31-24)17-33-18-25(11-13-30-14-12-25)20-5-3-2-4-6-20;25-24(26,27)20-14-21(30-22(15-20)18-6-10-28-11-7-18)16-31-17-23(8-12-29-13-9-23)19-4-2-1-3-5-19/h2-10,15-16,30H,11-14,17-18H2,1H3;1-7,10-11,14-15,29H,8-9,12-13,16-17H2
InChIKeyLGAWYIOYORJFCP-UHFFFAOYSA-N
XLogP10.61
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.98
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4-(6-Fluoro-3-pyridinyl)-2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)pyridine
CID 102169168
N-[[4-[3-fluoro-4-[2-fluoro-3-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]oxan-4-amine
CID 170697616
2-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 15163579
2-(4-Methoxyphenyl)-6-(((4-phenylpiperidin-4-yl)methoxy)methyl)-4-(trifluoromethyl)pyridine
CID 23725176
2-[[4-(4-Fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine
CID 24799548
2-(3-Fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24799549
2-(4-Methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
CID 24801275
N-(2-(4-(difluoromethoxy)phenyl)-5-morpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907386
5,7-Difluoro-N-(2-(4-methoxyphenyl)-5-(4-morpholinyl)-3-pyridinyl)-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50907823
6-[2-[4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyridin-3-yl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 52932614
3-Fluoro-2-[4-[4-(3-fluoro-5-octoxy-2-pyridinyl)phenoxy]phenyl]-5-octoxypyridine
CID 57024781
3-Fluoro-5-[[5-fluoro-6-(4-octoxyphenyl)-3-pyridinyl]oxy]-2-(4-octoxyphenyl)pyridine
CID 57307302

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine (CID 143618652) is 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)n2)cc1.FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)nc(-c2ccncc2)c1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The InChIKey is LGAWYIOYORJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O2.C24H24F3N3O/c1-32-23-9-7-19(8-10-23)24-16-21(26(27,28)29)15-22(31-24)17-33-18-25(11-13-30-14-12-25)20-5-3-2-4-6-20;25-24(26,27)20-14-21(30-22(15-20)18-6-10-28-11-7-18)16-31-17-23(8-12-29-13-9-23)19-4-2-1-3-5-19/h2-10,15-16,30H,11-14,17-18H2,1H3;1-7,10-11,14-15,29H,8-9,12-13,16-17H2.
What are the key properties of 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine has a molecular weight of 883.98 g/mol, XLogP of 10.61, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine;2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 143618652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).