2-(3-Phenylpropyl)Pyridine

C14H15N — CID 459494

IUPAC2-(3-phenylpropyl)pyridine
SMILESC1=CC=C(C=C1)CCCC2=CC=CC=N2
InChIInChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2
InChIKeyJJJPNTQYUJPWGQ-UHFFFAOYSA-N
MW197.27 g/mol
LogP3.20
Rot. Bonds4

About 2-(3-Phenylpropyl)Pyridine

2-(3-Phenylpropyl)Pyridine (PubChem CID 459494) has the molecular formula C14H15N and a molecular weight of 197.27 g/mol. Its IUPAC name is 2-(3-phenylpropyl)pyridine.

Molecular Properties

Compound Name2-(3-Phenylpropyl)Pyridine
PubChem CID459494
Molecular FormulaC14H15N
Molecular Weight197.27 g/mol
Exact Mass197.12
IUPAC Name2-(3-phenylpropyl)pyridine
SMILESC1=CC=C(C=C1)CCCC2=CC=CC=N2
InChIInChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2
InChIKeyJJJPNTQYUJPWGQ-UHFFFAOYSA-N
XLogP3.20
TPSA12.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity161

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-Phenylpropyl)Pyridine?
The IUPAC name of 2-(3-Phenylpropyl)Pyridine (CID 459494) is 2-(3-phenylpropyl)pyridine.
What is the SMILES notation for 2-(3-Phenylpropyl)Pyridine?
The canonical SMILES for 2-(3-Phenylpropyl)Pyridine is C1=CC=C(C=C1)CCCC2=CC=CC=N2.
What is the InChIKey of 2-(3-Phenylpropyl)Pyridine?
The InChIKey is JJJPNTQYUJPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2.
What are the key properties of 2-(3-Phenylpropyl)Pyridine?
2-(3-Phenylpropyl)Pyridine has a molecular weight of 197.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-Phenylpropyl)Pyridine is sourced from PubChem (CID 459494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).