2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine

C25H27FN2O2 — CID 10179509

IUPAC2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
SMILESCc1cc(OCCN2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H27FN2O2/c1-19-17-24(29-16-15-28-13-3-2-4-14-28)18-25(27-19)20-5-9-22(10-6-20)30-23-11-7-21(26)8-12-23/h5-12,17-18H,2-4,13-16H2,1H3
InChIKeyBVRRONNTZTZWBH-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.85
Rot. Bonds7

About 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine

2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine (PubChem CID 10179509) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
PubChem CID10179509
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
SMILESCc1cc(OCCN2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H27FN2O2/c1-19-17-24(29-16-15-28-13-3-2-4-14-28)18-25(27-19)20-5-9-22(10-6-20)30-23-11-7-21(26)8-12-23/h5-12,17-18H,2-4,13-16H2,1H3
InChIKeyBVRRONNTZTZWBH-UHFFFAOYSA-N
XLogP5.85
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine (CID 10179509) is 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine is Cc1cc(OCCN2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine?
The InChIKey is BVRRONNTZTZWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-19-17-24(29-16-15-28-13-3-2-4-14-28)18-25(27-19)20-5-9-22(10-6-20)30-23-11-7-21(26)8-12-23/h5-12,17-18H,2-4,13-16H2,1H3.
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine?
2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine has a molecular weight of 406.50 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine is sourced from PubChem (CID 10179509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).