4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine

C14H18FN — CID 22132289

IUPAC4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine
SMILESCCCC1CC(c2ccc(F)cc2)=CCN1
InChIInChI=1S/C14H18FN/c1-2-3-14-10-12(8-9-16-14)11-4-6-13(15)7-5-11/h4-8,14,16H,2-3,9-10H2,1H3
InChIKeyUQEHKFOBVBLTNV-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.37
Rot. Bonds3

About 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine

4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine (PubChem CID 22132289) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine
PubChem CID22132289
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine
SMILESCCCC1CC(c2ccc(F)cc2)=CCN1
InChIInChI=1S/C14H18FN/c1-2-3-14-10-12(8-9-16-14)11-4-6-13(15)7-5-11/h4-8,14,16H,2-3,9-10H2,1H3
InChIKeyUQEHKFOBVBLTNV-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine (CID 22132289) is 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine is CCCC1CC(c2ccc(F)cc2)=CCN1.
What is the InChIKey of 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine?
The InChIKey is UQEHKFOBVBLTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-2-3-14-10-12(8-9-16-14)11-4-6-13(15)7-5-11/h4-8,14,16H,2-3,9-10H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine?
4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine has a molecular weight of 219.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-propyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 22132289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).