4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine

C21H27FN2O — CID 21256730

IUPAC4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine
SMILESCc1cc(-c2ccc(F)cc2)cc(OCCCCN2CCCCC2)n1
InChIInChI=1S/C21H27FN2O/c1-17-15-19(18-7-9-20(22)10-8-18)16-21(23-17)25-14-6-5-13-24-11-3-2-4-12-24/h7-10,15-16H,2-6,11-14H2,1H3
InChIKeyVURXOSIYAPEKIA-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.84
Rot. Bonds7

About 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine

4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine (PubChem CID 21256730) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine
PubChem CID21256730
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine
SMILESCc1cc(-c2ccc(F)cc2)cc(OCCCCN2CCCCC2)n1
InChIInChI=1S/C21H27FN2O/c1-17-15-19(18-7-9-20(22)10-8-18)16-21(23-17)25-14-6-5-13-24-11-3-2-4-12-24/h7-10,15-16H,2-6,11-14H2,1H3
InChIKeyVURXOSIYAPEKIA-UHFFFAOYSA-N
XLogP4.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine (CID 21256730) is 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine is Cc1cc(-c2ccc(F)cc2)cc(OCCCCN2CCCCC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine?
The InChIKey is VURXOSIYAPEKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-17-15-19(18-7-9-20(22)10-8-18)16-21(23-17)25-14-6-5-13-24-11-3-2-4-12-24/h7-10,15-16H,2-6,11-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine?
4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine has a molecular weight of 342.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-(4-piperidin-1-ylbutoxy)pyridine is sourced from PubChem (CID 21256730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).