4-(3-Phenylpropyl)pyridine

C14H15N — CID 74937

IUPAC4-(3-phenylpropyl)pyridine
SMILESC1=CC=C(C=C1)CCCC2=CC=NC=C2
InChIInChI=1S/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2
InChIKeyAQIIVEISJBBUCR-UHFFFAOYSA-N
MW197.27 g/mol
LogP3.50
Rot. Bonds4

About 4-(3-Phenylpropyl)pyridine

4-(3-Phenylpropyl)pyridine (PubChem CID 74937) has the molecular formula C14H15N and a molecular weight of 197.27 g/mol. Its IUPAC name is 4-(3-phenylpropyl)pyridine.

Molecular Properties

Compound Name4-(3-Phenylpropyl)pyridine
PubChem CID74937
Molecular FormulaC14H15N
Molecular Weight197.27 g/mol
Exact Mass197.12
IUPAC Name4-(3-phenylpropyl)pyridine
SMILESC1=CC=C(C=C1)CCCC2=CC=NC=C2
InChIInChI=1S/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2
InChIKeyAQIIVEISJBBUCR-UHFFFAOYSA-N
XLogP3.50
TPSA12.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity155

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-Phenylpropyl)pyridine?
The IUPAC name of 4-(3-Phenylpropyl)pyridine (CID 74937) is 4-(3-phenylpropyl)pyridine.
What is the SMILES notation for 4-(3-Phenylpropyl)pyridine?
The canonical SMILES for 4-(3-Phenylpropyl)pyridine is C1=CC=C(C=C1)CCCC2=CC=NC=C2.
What is the InChIKey of 4-(3-Phenylpropyl)pyridine?
The InChIKey is AQIIVEISJBBUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2.
What are the key properties of 4-(3-Phenylpropyl)pyridine?
4-(3-Phenylpropyl)pyridine has a molecular weight of 197.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-Phenylpropyl)pyridine is sourced from PubChem (CID 74937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).