5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine

C16H22FNO — CID 139679463

IUPAC5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCc1cc(F)ccc1OCC1=CCCN(C)C1
InChIInChI=1S/C16H22FNO/c1-3-5-14-10-15(17)7-8-16(14)19-12-13-6-4-9-18(2)11-13/h6-8,10H,3-5,9,11-12H2,1-2H3
InChIKeyMSJHMDWNRYRVSG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.42
Rot. Bonds5

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

5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 139679463) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID139679463
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCc1cc(F)ccc1OCC1=CCCN(C)C1
InChIInChI=1S/C16H22FNO/c1-3-5-14-10-15(17)7-8-16(14)19-12-13-6-4-9-18(2)11-13/h6-8,10H,3-5,9,11-12H2,1-2H3
InChIKeyMSJHMDWNRYRVSG-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine (CID 139679463) is 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine is CCCc1cc(F)ccc1OCC1=CCCN(C)C1.
What is the InChIKey of 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is MSJHMDWNRYRVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-5-14-10-15(17)7-8-16(14)19-12-13-6-4-9-18(2)11-13/h6-8,10H,3-5,9,11-12H2,1-2H3.
What are the key properties of 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine?
5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 263.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-propylphenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 139679463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).