2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine

C22H25FN4O — CID 95839144

IUPAC2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1cccc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1
InChIInChI=1S/C22H25FN4O/c1-17-24-11-13-27(17)22-6-2-5-21(25-22)18-4-3-12-26(16-18)14-15-28-20-9-7-19(23)8-10-20/h2,5-11,13,18H,3-4,12,14-16H2,1H3/t18-/m1/s1
InChIKeyNAJLGQHFJXGLJQ-GOSISDBHSA-N
MW380.47 g/mol
LogP3.97
Rot. Bonds6

About 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine

2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine (PubChem CID 95839144) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine
PubChem CID95839144
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1cccc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1
InChIInChI=1S/C22H25FN4O/c1-17-24-11-13-27(17)22-6-2-5-21(25-22)18-4-3-12-26(16-18)14-15-28-20-9-7-19(23)8-10-20/h2,5-11,13,18H,3-4,12,14-16H2,1H3/t18-/m1/s1
InChIKeyNAJLGQHFJXGLJQ-GOSISDBHSA-N
XLogP3.97
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine?
The IUPAC name of 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine (CID 95839144) is 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine?
The canonical SMILES for 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine is Cc1nccn1-c1cccc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine?
The InChIKey is NAJLGQHFJXGLJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-17-24-11-13-27(17)22-6-2-5-21(25-22)18-4-3-12-26(16-18)14-15-28-20-9-7-19(23)8-10-20/h2,5-11,13,18H,3-4,12,14-16H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine?
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine has a molecular weight of 380.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-6-(2-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 95839144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).