3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine

C21H24FN3O — CID 46981016

IUPAC3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine
SMILESCc1ccn2c(CN3CCC(Oc4ccccc4F)CC3)c(C)nc2c1
InChIInChI=1S/C21H24FN3O/c1-15-7-12-25-19(16(2)23-21(25)13-15)14-24-10-8-17(9-11-24)26-20-6-4-3-5-18(20)22/h3-7,12-13,17H,8-11,14H2,1-2H3
InChIKeyZMLKTTIODNEFNZ-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.13
Rot. Bonds4

About 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine

3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine (PubChem CID 46981016) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine
PubChem CID46981016
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine
SMILESCc1ccn2c(CN3CCC(Oc4ccccc4F)CC3)c(C)nc2c1
InChIInChI=1S/C21H24FN3O/c1-15-7-12-25-19(16(2)23-21(25)13-15)14-24-10-8-17(9-11-24)26-20-6-4-3-5-18(20)22/h3-7,12-13,17H,8-11,14H2,1-2H3
InChIKeyZMLKTTIODNEFNZ-UHFFFAOYSA-N
XLogP4.13
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine (CID 46981016) is 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine is Cc1ccn2c(CN3CCC(Oc4ccccc4F)CC3)c(C)nc2c1.
What is the InChIKey of 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine?
The InChIKey is ZMLKTTIODNEFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-15-7-12-25-19(16(2)23-21(25)13-15)14-24-10-8-17(9-11-24)26-20-6-4-3-5-18(20)22/h3-7,12-13,17H,8-11,14H2,1-2H3.
What are the key properties of 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine?
3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine has a molecular weight of 353.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46981016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).