2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine

C27H29F3N2O2 — CID 24801275

IUPAC2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCN(C)CC3)n2)cc1
InChIInChI=1S/C27H29F3N2O2/c1-32-14-12-26(13-15-32,21-6-4-3-5-7-21)19-34-18-23-16-22(27(28,29)30)17-25(31-23)20-8-10-24(33-2)11-9-20/h3-11,16-17H,12-15,18-19H2,1-2H3
InChIKeyBLUJJYCFFACGEL-UHFFFAOYSA-N
MW470.54 g/mol
LogP5.96
Rot. Bonds7

About 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine

2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 24801275) has the molecular formula C27H29F3N2O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID24801275
Molecular FormulaC27H29F3N2O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCN(C)CC3)n2)cc1
InChIInChI=1S/C27H29F3N2O2/c1-32-14-12-26(13-15-32,21-6-4-3-5-7-21)19-34-18-23-16-22(27(28,29)30)17-25(31-23)20-8-10-24(33-2)11-9-20/h3-11,16-17H,12-15,18-19H2,1-2H3
InChIKeyBLUJJYCFFACGEL-UHFFFAOYSA-N
XLogP5.96
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine (CID 24801275) is 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccccc4)CCN(C)CC3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is BLUJJYCFFACGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O2/c1-32-14-12-26(13-15-32,21-6-4-3-5-7-21)19-34-18-23-16-22(27(28,29)30)17-25(31-23)20-8-10-24(33-2)11-9-20/h3-11,16-17H,12-15,18-19H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine?
2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 470.54 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24801275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).