4-(3-pyridin-4-ylbutan-2-yl)pyridine

C14H16N2 — CID 15851531

IUPAC4-(3-pyridin-4-ylbutan-2-yl)pyridine
SMILESCC(c1ccncc1)C(C)c1ccncc1
InChIInChI=1S/C14H16N2/c1-11(13-3-7-15-8-4-13)12(2)14-5-9-16-10-6-14/h3-12H,1-2H3
InChIKeyXGJXWHRUXUVTKK-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.38
Rot. Bonds3

About 4-(3-pyridin-4-ylbutan-2-yl)pyridine

4-(3-pyridin-4-ylbutan-2-yl)pyridine (PubChem CID 15851531) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-(3-pyridin-4-ylbutan-2-yl)pyridine.

Molecular Properties

Compound Name4-(3-pyridin-4-ylbutan-2-yl)pyridine
PubChem CID15851531
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-(3-pyridin-4-ylbutan-2-yl)pyridine
SMILESCC(c1ccncc1)C(C)c1ccncc1
InChIInChI=1S/C14H16N2/c1-11(13-3-7-15-8-4-13)12(2)14-5-9-16-10-6-14/h3-12H,1-2H3
InChIKeyXGJXWHRUXUVTKK-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-ylbutan-2-yl)pyridine?
The IUPAC name of 4-(3-pyridin-4-ylbutan-2-yl)pyridine (CID 15851531) is 4-(3-pyridin-4-ylbutan-2-yl)pyridine.
What is the SMILES notation for 4-(3-pyridin-4-ylbutan-2-yl)pyridine?
The canonical SMILES for 4-(3-pyridin-4-ylbutan-2-yl)pyridine is CC(c1ccncc1)C(C)c1ccncc1.
What is the InChIKey of 4-(3-pyridin-4-ylbutan-2-yl)pyridine?
The InChIKey is XGJXWHRUXUVTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11(13-3-7-15-8-4-13)12(2)14-5-9-16-10-6-14/h3-12H,1-2H3.
What are the key properties of 4-(3-pyridin-4-ylbutan-2-yl)pyridine?
4-(3-pyridin-4-ylbutan-2-yl)pyridine has a molecular weight of 212.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-ylbutan-2-yl)pyridine is sourced from PubChem (CID 15851531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).