2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

C26H27F3N2O2 — CID 24782156

IUPAC2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C26H27F3N2O2/c1-32-24-16-20(7-10-31-24)21-13-19(14-23(15-21)26(27,28)29)17-33-18-25(8-11-30-12-9-25)22-5-3-2-4-6-22/h2-7,10,13-16,30H,8-9,11-12,17-18H2,1H3
InChIKeyGVJHLEWNXFLUNJ-UHFFFAOYSA-N
MW456.51 g/mol
LogP5.61
Rot. Bonds7

About 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine

2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 24782156) has the molecular formula C26H27F3N2O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
PubChem CID24782156
Molecular FormulaC26H27F3N2O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C26H27F3N2O2/c1-32-24-16-20(7-10-31-24)21-13-19(14-23(15-21)26(27,28)29)17-33-18-25(8-11-30-12-9-25)22-5-3-2-4-6-22/h2-7,10,13-16,30H,8-9,11-12,17-18H2,1H3
InChIKeyGVJHLEWNXFLUNJ-UHFFFAOYSA-N
XLogP5.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
US10155760, Example 43
CID 118420203
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
3-Methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl)phenyl]methoxy}pyridine
CID 25263328
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
3-Methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]pyridine
CID 25263340
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine (CID 24782156) is 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is COc1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is GVJHLEWNXFLUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O2/c1-32-24-16-20(7-10-31-24)21-13-19(14-23(15-21)26(27,28)29)17-33-18-25(8-11-30-12-9-25)22-5-3-2-4-6-22/h2-7,10,13-16,30H,8-9,11-12,17-18H2,1H3.
What are the key properties of 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine?
2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 456.51 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24782156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).