2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine

C18H18FN — CID 54486082

IUPAC2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1cccc(C2=CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C18H18FN/c19-17-8-4-7-15(12-17)16-9-10-20-18(13-16)11-14-5-2-1-3-6-14/h1-9,12,18,20H,10-11,13H2
InChIKeyXSKBWTWFLWSKRK-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.81
Rot. Bonds3

About 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine

2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 54486082) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine
PubChem CID54486082
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1cccc(C2=CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C18H18FN/c19-17-8-4-7-15(12-17)16-9-10-20-18(13-16)11-14-5-2-1-3-6-14/h1-9,12,18,20H,10-11,13H2
InChIKeyXSKBWTWFLWSKRK-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine (CID 54486082) is 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine is Fc1cccc(C2=CCNC(Cc3ccccc3)C2)c1.
What is the InChIKey of 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is XSKBWTWFLWSKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c19-17-8-4-7-15(12-17)16-9-10-20-18(13-16)11-14-5-2-1-3-6-14/h1-9,12,18,20H,10-11,13H2.
What are the key properties of 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine?
2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 267.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 54486082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).