6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine

C18H19N — CID 22572109

IUPAC6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine
SMILESc1ccc(CC2=NCCCC2c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-3-8-15(9-4-1)14-18-17(12-7-13-19-18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyLPYJYNGQAQWWPJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.25
Rot. Bonds3

About 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine

6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine (PubChem CID 22572109) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine
PubChem CID22572109
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine
SMILESc1ccc(CC2=NCCCC2c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-3-8-15(9-4-1)14-18-17(12-7-13-19-18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyLPYJYNGQAQWWPJ-UHFFFAOYSA-N
XLogP4.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine (CID 22572109) is 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine is c1ccc(CC2=NCCCC2c2ccccc2)cc1.
What is the InChIKey of 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine?
The InChIKey is LPYJYNGQAQWWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-8-15(9-4-1)14-18-17(12-7-13-19-18)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2.
What are the key properties of 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine?
6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine has a molecular weight of 249.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 22572109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).