3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine

C22H22FN3O — CID 118675992

IUPAC3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine
SMILESFc1ccc(CN2CCC(Oc3cccnc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C22H22FN3O/c23-19-5-3-17(4-6-19)16-26-14-9-20(10-15-26)27-21-2-1-11-25-22(21)18-7-12-24-13-8-18/h1-8,11-13,20H,9-10,14-16H2
InChIKeyMMLDPSFIZJGKJQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.33
Rot. Bonds5

About 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine

3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine (PubChem CID 118675992) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine
PubChem CID118675992
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine
SMILESFc1ccc(CN2CCC(Oc3cccnc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C22H22FN3O/c23-19-5-3-17(4-6-19)16-26-14-9-20(10-15-26)27-21-2-1-11-25-22(21)18-7-12-24-13-8-18/h1-8,11-13,20H,9-10,14-16H2
InChIKeyMMLDPSFIZJGKJQ-UHFFFAOYSA-N
XLogP4.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
CID 118675977
5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole
CID 118675997
cyclopropyl-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 118676010
8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline
CID 46870849
[4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol
CID 110008205
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 56892936
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74232856
4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine
CID 118675921
3-fluoro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxybenzamide
CID 143718334
2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine
CID 129244797

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine (CID 118675992) is 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine is Fc1ccc(CN2CCC(Oc3cccnc3-c3ccncc3)CC2)cc1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine?
The InChIKey is MMLDPSFIZJGKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-5-3-17(4-6-19)16-26-14-9-20(10-15-26)27-21-2-1-11-25-22(21)18-7-12-24-13-8-18/h1-8,11-13,20H,9-10,14-16H2.
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine?
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine has a molecular weight of 363.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine is sourced from PubChem (CID 118675992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).