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

C26H27F3N2O2 — CID 23725176

IUPAC2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)n2)cc1
InChIInChI=1S/C26H27F3N2O2/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/h2-10,15-16,30H,11-14,17-18H2,1H3
InChIKeyFYVDWFZWDGMACY-UHFFFAOYSA-N
MW456.51 g/mol
LogP5.61
Rot. Bonds7

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

2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 23725176) has the molecular formula C26H27F3N2O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID23725176
Molecular FormulaC26H27F3N2O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)n2)cc1
InChIInChI=1S/C26H27F3N2O2/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/h2-10,15-16,30H,11-14,17-18H2,1H3
InChIKeyFYVDWFZWDGMACY-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (CID 23725176) is 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCNCC3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is FYVDWFZWDGMACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O2/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/h2-10,15-16,30H,11-14,17-18H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
2-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)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-(4-methoxyphenyl)-6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23725176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).