2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine

C20H21FN4 — CID 95838563

IUPAC2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
SMILESFc1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1
InChIInChI=1S/C20H21FN4/c21-18-8-6-16(7-9-18)13-24-11-2-3-17(14-24)19-4-1-5-20(23-19)25-12-10-22-15-25/h1,4-10,12,15,17H,2-3,11,13-14H2/t17-/m1/s1
InChIKeyXSMJLORTTPPSQU-QGZVFWFLSA-N
MW336.41 g/mol
LogP3.79
Rot. Bonds4

About 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine

2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine (PubChem CID 95838563) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine.

Molecular Properties

Compound Name2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
PubChem CID95838563
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
SMILESFc1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1
InChIInChI=1S/C20H21FN4/c21-18-8-6-16(7-9-18)13-24-11-2-3-17(14-24)19-4-1-5-20(23-19)25-12-10-22-15-25/h1,4-10,12,15,17H,2-3,11,13-14H2/t17-/m1/s1
InChIKeyXSMJLORTTPPSQU-QGZVFWFLSA-N
XLogP3.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
CID 95810845
2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838629
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone
CID 110267731
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95815716
cyclopentyl-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95838424
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815726
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
2-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815752
[(3S)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838490
2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine
CID 110090958
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine?
The IUPAC name of 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine (CID 95838563) is 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine.
What is the SMILES notation for 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine?
The canonical SMILES for 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine is Fc1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1.
What is the InChIKey of 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine?
The InChIKey is XSMJLORTTPPSQU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN4/c21-18-8-6-16(7-9-18)13-24-11-2-3-17(14-24)19-4-1-5-20(23-19)25-12-10-22-15-25/h1,4-10,12,15,17H,2-3,11,13-14H2/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine?
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine has a molecular weight of 336.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine is sourced from PubChem (CID 95838563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).