2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine

C52H53F6N5O3 — CID 143618655

IUPAC2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccc(OCc4ccc(C5(COCc6cc(C(F)(F)F)cc(-c7ccncc7)n6)CCN(C)CC5)cc4)cc3)n2)(c2ccccc2)CC1
InChIInChI=1S/C52H53F6N5O3/c1-62-24-18-49(19-25-62,40-6-4-3-5-7-40)35-64-33-44-28-42(51(53,54)55)30-47(60-44)38-10-14-46(15-11-38)66-32-37-8-12-41(13-9-37)50(20-26-63(2)27-21-50)36-65-34-45-29-43(52(56,57)58)31-48(61-45)39-16-22-59-23-17-39/h3-17,22-23,28-31H,18-21,24-27,32-36H2,1-2H3
InChIKeyODLNQUTVFIZBDP-UHFFFAOYSA-N
MW910.02 g/mol
LogP11.18
Rot. Bonds15

About 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine

2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine (PubChem CID 143618655) has the molecular formula C52H53F6N5O3 and a molecular weight of 910.02 g/mol. Its IUPAC name is 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
PubChem CID143618655
Molecular FormulaC52H53F6N5O3
Molecular Weight910.02 g/mol
Exact Mass909.41
IUPAC Name2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccc(OCc4ccc(C5(COCc6cc(C(F)(F)F)cc(-c7ccncc7)n6)CCN(C)CC5)cc4)cc3)n2)(c2ccccc2)CC1
InChIInChI=1S/C52H53F6N5O3/c1-62-24-18-49(19-25-62,40-6-4-3-5-7-40)35-64-33-44-28-42(51(53,54)55)30-47(60-44)38-10-14-46(15-11-38)66-32-37-8-12-41(13-9-37)50(20-26-63(2)27-21-50)36-65-34-45-29-43(52(56,57)58)31-48(61-45)39-16-22-59-23-17-39/h3-17,22-23,28-31H,18-21,24-27,32-36H2,1-2H3
InChIKeyODLNQUTVFIZBDP-UHFFFAOYSA-N
XLogP11.18
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.02
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

Aqw-051
CID 50914822
2-(4-Methoxyphenyl)-6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]pyridine
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2-(4-Methoxyphenyl)-6-methyl-3-(pyridin-2-ylmethoxy)pyridine
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2-(3-Pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 155545788
2-(4-Methoxyphenyl)-6-methyl-3-[(5-methyl-2-pyridinyl)methoxy]pyridine
CID 145980932
2-(4-Methoxyphenyl)-6-methyl-3-[(3-methyl-2-pyridinyl)methoxy]pyridine
CID 145989694
2-(Pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 155560291
4-(6-Fluoro-3-pyridinyl)-2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)pyridine
CID 102169168
6-(4-(tert-Butyl)phenyl)-5-(4-methoxyphenyl)-4-phenyl-3-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341883
3-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-5-phenyl-6-(4-(trifluoromethyl)phenyl)-2,2'-bipyridine
CID 86341899
4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132597360

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine (CID 143618655) is 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccc(OCc4ccc(C5(COCc6cc(C(F)(F)F)cc(-c7ccncc7)n6)CCN(C)CC5)cc4)cc3)n2)(c2ccccc2)CC1.
What is the InChIKey of 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The InChIKey is ODLNQUTVFIZBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H53F6N5O3/c1-62-24-18-49(19-25-62,40-6-4-3-5-7-40)35-64-33-44-28-42(51(53,54)55)30-47(60-44)38-10-14-46(15-11-38)66-32-37-8-12-41(13-9-37)50(20-26-63(2)27-21-50)36-65-34-45-29-43(52(56,57)58)31-48(61-45)39-16-22-59-23-17-39/h3-17,22-23,28-31H,18-21,24-27,32-36H2,1-2H3.
What are the key properties of 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine has a molecular weight of 910.02 g/mol, XLogP of 11.18, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-4-[4-[[4-[6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)-2-pyridinyl]phenoxy]methyl]phenyl]piperidin-4-yl]methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 143618655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).