4-benzyl-2-cyclobutylpyridine

C16H17N — CID 57315763

IUPAC4-benzyl-2-cyclobutylpyridine
SMILESc1ccc(Cc2ccnc(C3CCC3)c2)cc1
InChIInChI=1S/C16H17N/c1-2-5-13(6-3-1)11-14-9-10-17-16(12-14)15-7-4-8-15/h1-3,5-6,9-10,12,15H,4,7-8,11H2
InChIKeyLERNDOGDSMJEMH-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.94
Rot. Bonds3

About 4-benzyl-2-cyclobutylpyridine

4-benzyl-2-cyclobutylpyridine (PubChem CID 57315763) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-benzyl-2-cyclobutylpyridine.

Molecular Properties

Compound Name4-benzyl-2-cyclobutylpyridine
PubChem CID57315763
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name4-benzyl-2-cyclobutylpyridine
SMILESc1ccc(Cc2ccnc(C3CCC3)c2)cc1
InChIInChI=1S/C16H17N/c1-2-5-13(6-3-1)11-14-9-10-17-16(12-14)15-7-4-8-15/h1-3,5-6,9-10,12,15H,4,7-8,11H2
InChIKeyLERNDOGDSMJEMH-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-cyclobutylpyridine?
The IUPAC name of 4-benzyl-2-cyclobutylpyridine (CID 57315763) is 4-benzyl-2-cyclobutylpyridine.
What is the SMILES notation for 4-benzyl-2-cyclobutylpyridine?
The canonical SMILES for 4-benzyl-2-cyclobutylpyridine is c1ccc(Cc2ccnc(C3CCC3)c2)cc1.
What is the InChIKey of 4-benzyl-2-cyclobutylpyridine?
The InChIKey is LERNDOGDSMJEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-5-13(6-3-1)11-14-9-10-17-16(12-14)15-7-4-8-15/h1-3,5-6,9-10,12,15H,4,7-8,11H2.
What are the key properties of 4-benzyl-2-cyclobutylpyridine?
4-benzyl-2-cyclobutylpyridine has a molecular weight of 223.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-cyclobutylpyridine is sourced from PubChem (CID 57315763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).