2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine

C23H21FN2 — CID 19863518

IUPAC2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
SMILESFc1ccc(-c2cc(CC3CC(c4ccccc4)=CCN3)ccn2)cc1
InChIInChI=1S/C23H21FN2/c24-21-8-6-19(7-9-21)23-15-17(10-12-26-23)14-22-16-20(11-13-25-22)18-4-2-1-3-5-18/h1-12,15,22,25H,13-14,16H2
InChIKeyORRFCGANSNRELN-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.88
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine

2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine (PubChem CID 19863518) has the molecular formula C23H21FN2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
PubChem CID19863518
Molecular FormulaC23H21FN2
Molecular Weight344.43 g/mol
Exact Mass344.17
IUPAC Name2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
SMILESFc1ccc(-c2cc(CC3CC(c4ccccc4)=CCN3)ccn2)cc1
InChIInChI=1S/C23H21FN2/c24-21-8-6-19(7-9-21)23-15-17(10-12-26-23)14-22-16-20(11-13-25-22)18-4-2-1-3-5-18/h1-12,15,22,25H,13-14,16H2
InChIKeyORRFCGANSNRELN-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine (CID 19863518) is 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine is Fc1ccc(-c2cc(CC3CC(c4ccccc4)=CCN3)ccn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine?
The InChIKey is ORRFCGANSNRELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2/c24-21-8-6-19(7-9-21)23-15-17(10-12-26-23)14-22-16-20(11-13-25-22)18-4-2-1-3-5-18/h1-12,15,22,25H,13-14,16H2.
What are the key properties of 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine?
2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine has a molecular weight of 344.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine is sourced from PubChem (CID 19863518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).