5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine

C15H20FNO — CID 139679444

IUPAC5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine
SMILESCCCc1cc(F)ccc1OCC1=CCCNC1
InChIInChI=1S/C15H20FNO/c1-2-4-13-9-14(16)6-7-15(13)18-11-12-5-3-8-17-10-12/h5-7,9,17H,2-4,8,10-11H2,1H3
InChIKeyCOPBXAYJPZOVIQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.08
Rot. Bonds5

About 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine

5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine (PubChem CID 139679444) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine
PubChem CID139679444
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine
SMILESCCCc1cc(F)ccc1OCC1=CCCNC1
InChIInChI=1S/C15H20FNO/c1-2-4-13-9-14(16)6-7-15(13)18-11-12-5-3-8-17-10-12/h5-7,9,17H,2-4,8,10-11H2,1H3
InChIKeyCOPBXAYJPZOVIQ-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 139679463
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159
4-fluoro-2-propylaniline
CID 23348947
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242
5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
4-[2-(5-fluoro-2-propoxyphenyl)ethyl]-2H-triazole
CID 112719741
2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane
CID 83944069
1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene
CID 107698765
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
2-(2-butoxy-5-fluorophenyl)acetaldehyde
CID 122648996
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine (CID 139679444) is 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine is CCCc1cc(F)ccc1OCC1=CCCNC1.
What is the InChIKey of 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is COPBXAYJPZOVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-4-13-9-14(16)6-7-15(13)18-11-12-5-3-8-17-10-12/h5-7,9,17H,2-4,8,10-11H2,1H3.
What are the key properties of 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine?
5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 249.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-propylphenoxy)methyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 139679444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).