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

C19H20FN5 — CID 95810845

IUPAC2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
SMILESFc1ccc(CN2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1
InChIInChI=1S/C19H20FN5/c20-17-5-3-15(4-6-17)12-24-10-1-2-16(13-24)18-19(23-8-7-22-18)25-11-9-21-14-25/h3-9,11,14,16H,1-2,10,12-13H2/t16-/m1/s1
InChIKeyXVUSYDGHMPNZFY-MRXNPFEDSA-N
MW337.40 g/mol
LogP3.18
Rot. Bonds4

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

2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine (PubChem CID 95810845) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine.

Molecular Properties

Compound Name2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
PubChem CID95810845
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
SMILESFc1ccc(CN2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1
InChIInChI=1S/C19H20FN5/c20-17-5-3-15(4-6-17)12-24-10-1-2-16(13-24)18-19(23-8-7-22-18)25-11-9-21-14-25/h3-9,11,14,16H,1-2,10,12-13H2/t16-/m1/s1
InChIKeyXVUSYDGHMPNZFY-MRXNPFEDSA-N
XLogP3.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838563
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829339
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 46965629
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95815716
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine?
The IUPAC name of 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine (CID 95810845) is 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine.
What is the SMILES notation for 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine?
The canonical SMILES for 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine is Fc1ccc(CN2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1.
What is the InChIKey of 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine?
The InChIKey is XVUSYDGHMPNZFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20FN5/c20-17-5-3-15(4-6-17)12-24-10-1-2-16(13-24)18-19(23-8-7-22-18)25-11-9-21-14-25/h3-9,11,14,16H,1-2,10,12-13H2/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine?
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine has a molecular weight of 337.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine is sourced from PubChem (CID 95810845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).